int relax_shell_flexcon(FILE *fplog, t_commrec *cr, gmx_bool bVerbose,
gmx_int64_t mdstep, t_inputrec *inputrec,
gmx_bool bDoNS, int force_flags,
gmx_localtop_t *top,
gmx_constr_t constr,
gmx_enerdata_t *enerd, t_fcdata *fcd,
t_state *state, rvec f[],
tensor force_vir,
t_mdatoms *md,
t_nrnb *nrnb, gmx_wallcycle_t wcycle,
t_graph *graph,
gmx_groups_t *groups,
struct gmx_shellfc *shfc,
t_forcerec *fr,
gmx_bool bBornRadii,
double t, rvec mu_tot,
gmx_bool *bConverged,
gmx_vsite_t *vsite,
FILE *fp_field)
{
int nshell;
t_shell *shell;
t_idef *idef;
rvec *pos[2], *force[2], *acc_dir = NULL, *x_old = NULL;
real Epot[2], df[2];
rvec dx;
real sf_dir, invdt;
real ftol, xiH, xiS, dum = 0;
char sbuf[22];
gmx_bool bCont, bInit;
int nat, dd_ac0, dd_ac1 = 0, i;
int start = 0, homenr = md->homenr, end = start+homenr, cg0, cg1;
int nflexcon, g, number_steps, d, Min = 0, count = 0;
#define Try (1-Min) /* At start Try = 1 */
bCont = (mdstep == inputrec->init_step) && inputrec->bContinuation;
bInit = (mdstep == inputrec->init_step) || shfc->bRequireInit;
ftol = inputrec->em_tol;
number_steps = inputrec->niter;
nshell = shfc->nshell;
shell = shfc->shell;
nflexcon = shfc->nflexcon;
idef = &top->idef;
if (DOMAINDECOMP(cr))
{
nat = dd_natoms_vsite(cr->dd);
if (nflexcon > 0)
{
dd_get_constraint_range(cr->dd, &dd_ac0, &dd_ac1);
nat = max(nat, dd_ac1);
}
}
else
{
nat = state->natoms;
}
if (nat > shfc->x_nalloc)
{
/* Allocate local arrays */
shfc->x_nalloc = over_alloc_dd(nat);
for (i = 0; (i < 2); i++)
{
srenew(shfc->x[i], shfc->x_nalloc);
srenew(shfc->f[i], shfc->x_nalloc);
}
}
for (i = 0; (i < 2); i++)
{
pos[i] = shfc->x[i];
force[i] = shfc->f[i];
}
/* When we had particle decomposition, this code only worked with
* PD when all particles involved with each shell were in the same
* charge group. Not sure if this is still relevant. */
if (bDoNS && inputrec->ePBC != epbcNONE && !DOMAINDECOMP(cr))
{
/* This is the only time where the coordinates are used
* before do_force is called, which normally puts all
* charge groups in the box.
*/
cg0 = 0;
cg1 = top->cgs.nr;
put_charge_groups_in_box(fplog, cg0, cg1, fr->ePBC, state->box,
&(top->cgs), state->x, fr->cg_cm);
if (graph)
{
mk_mshift(fplog, graph, fr->ePBC, state->box, state->x);
}
}
/* After this all coordinate arrays will contain whole molecules */
if (graph)
{
shift_self(graph, state->box, state->x);
}
if (nflexcon)
{
if (nat > shfc->flex_nalloc)
{
shfc->flex_nalloc = over_alloc_dd(nat);
srenew(shfc->acc_dir, shfc->flex_nalloc);
srenew(shfc->x_old, shfc->flex_nalloc);
}
acc_dir = shfc->acc_dir;
x_old = shfc->x_old;
for (i = 0; i < homenr; i++)
{
for (d = 0; d < DIM; d++)
{
shfc->x_old[i][d] =
state->x[start+i][d] - state->v[start+i][d]*inputrec->delta_t;
}
}
}
/* Do a prediction of the shell positions */
if (shfc->bPredict && !bCont)
{
predict_shells(fplog, state->x, state->v, inputrec->delta_t, nshell, shell,
md->massT, NULL, bInit);
}
/* do_force expected the charge groups to be in the box */
if (graph)
{
unshift_self(graph, state->box, state->x);
}
/* Calculate the forces first time around */
if (gmx_debug_at)
{
pr_rvecs(debug, 0, "x b4 do_force", state->x + start, homenr);
}
do_force(fplog, cr, inputrec, mdstep, nrnb, wcycle, top, groups,
state->box, state->x, &state->hist,
force[Min], force_vir, md, enerd, fcd,
state->lambda, graph,
fr, vsite, mu_tot, t, fp_field, NULL, bBornRadii,
(bDoNS ? GMX_FORCE_NS : 0) | force_flags);
sf_dir = 0;
if (nflexcon)
{
init_adir(fplog, shfc,
constr, idef, inputrec, cr, dd_ac1, mdstep, md, start, end,
shfc->x_old-start, state->x, state->x, force[Min],
shfc->acc_dir-start,
fr->bMolPBC, state->box, state->lambda, &dum, nrnb);
for (i = start; i < end; i++)
{
sf_dir += md->massT[i]*norm2(shfc->acc_dir[i-start]);
}
}
Epot[Min] = enerd->term[F_EPOT];
df[Min] = rms_force(cr, shfc->f[Min], nshell, shell, nflexcon, &sf_dir, &Epot[Min]);
df[Try] = 0;
if (debug)
{
fprintf(debug, "df = %g %g\n", df[Min], df[Try]);
}
if (gmx_debug_at)
{
pr_rvecs(debug, 0, "force0", force[Min], md->nr);
}
if (nshell+nflexcon > 0)
{
/* Copy x to pos[Min] & pos[Try]: during minimization only the
* shell positions are updated, therefore the other particles must
* be set here.
*/
memcpy(pos[Min], state->x, nat*sizeof(state->x[0]));
memcpy(pos[Try], state->x, nat*sizeof(state->x[0]));
}
if (bVerbose && MASTER(cr))
{
print_epot(stdout, mdstep, 0, Epot[Min], df[Min], nflexcon, sf_dir);
}
if (debug)
{
fprintf(debug, "%17s: %14.10e\n",
interaction_function[F_EKIN].longname, enerd->term[F_EKIN]);
fprintf(debug, "%17s: %14.10e\n",
interaction_function[F_EPOT].longname, enerd->term[F_EPOT]);
fprintf(debug, "%17s: %14.10e\n",
interaction_function[F_ETOT].longname, enerd->term[F_ETOT]);
fprintf(debug, "SHELLSTEP %s\n", gmx_step_str(mdstep, sbuf));
}
/* First check whether we should do shells, or whether the force is
* low enough even without minimization.
*/
*bConverged = (df[Min] < ftol);
for (count = 1; (!(*bConverged) && (count < number_steps)); count++)
{
if (vsite)
{
construct_vsites(vsite, pos[Min], inputrec->delta_t, state->v,
idef->iparams, idef->il,
fr->ePBC, fr->bMolPBC, cr, state->box);
}
if (nflexcon)
{
init_adir(fplog, shfc,
constr, idef, inputrec, cr, dd_ac1, mdstep, md, start, end,
x_old-start, state->x, pos[Min], force[Min], acc_dir-start,
fr->bMolPBC, state->box, state->lambda, &dum, nrnb);
directional_sd(pos[Min], pos[Try], acc_dir-start, start, end,
fr->fc_stepsize);
}
/* New positions, Steepest descent */
shell_pos_sd(pos[Min], pos[Try], force[Min], nshell, shell, count);
/* do_force expected the charge groups to be in the box */
if (graph)
{
unshift_self(graph, state->box, pos[Try]);
}
if (gmx_debug_at)
{
pr_rvecs(debug, 0, "RELAX: pos[Min] ", pos[Min] + start, homenr);
pr_rvecs(debug, 0, "RELAX: pos[Try] ", pos[Try] + start, homenr);
}
/* Try the new positions */
do_force(fplog, cr, inputrec, 1, nrnb, wcycle,
top, groups, state->box, pos[Try], &state->hist,
force[Try], force_vir,
md, enerd, fcd, state->lambda, graph,
fr, vsite, mu_tot, t, fp_field, NULL, bBornRadii,
force_flags);
if (gmx_debug_at)
{
pr_rvecs(debug, 0, "RELAX: force[Min]", force[Min] + start, homenr);
pr_rvecs(debug, 0, "RELAX: force[Try]", force[Try] + start, homenr);
}
sf_dir = 0;
if (nflexcon)
{
init_adir(fplog, shfc,
constr, idef, inputrec, cr, dd_ac1, mdstep, md, start, end,
x_old-start, state->x, pos[Try], force[Try], acc_dir-start,
fr->bMolPBC, state->box, state->lambda, &dum, nrnb);
for (i = start; i < end; i++)
{
sf_dir += md->massT[i]*norm2(acc_dir[i-start]);
}
}
Epot[Try] = enerd->term[F_EPOT];
df[Try] = rms_force(cr, force[Try], nshell, shell, nflexcon, &sf_dir, &Epot[Try]);
if (debug)
{
fprintf(debug, "df = %g %g\n", df[Min], df[Try]);
}
if (debug)
{
if (gmx_debug_at)
{
pr_rvecs(debug, 0, "F na do_force", force[Try] + start, homenr);
}
if (gmx_debug_at)
{
fprintf(debug, "SHELL ITER %d\n", count);
dump_shells(debug, pos[Try], force[Try], ftol, nshell, shell);
}
}
if (bVerbose && MASTER(cr))
{
print_epot(stdout, mdstep, count, Epot[Try], df[Try], nflexcon, sf_dir);
}
*bConverged = (df[Try] < ftol);
if ((df[Try] < df[Min]))
{
if (debug)
{
fprintf(debug, "Swapping Min and Try\n");
}
if (nflexcon)
{
/* Correct the velocities for the flexible constraints */
invdt = 1/inputrec->delta_t;
for (i = start; i < end; i++)
{
for (d = 0; d < DIM; d++)
{
state->v[i][d] += (pos[Try][i][d] - pos[Min][i][d])*invdt;
}
}
}
Min = Try;
}
else
{
decrease_step_size(nshell, shell);
}
}
if (MASTER(cr) && !(*bConverged))
{
/* Note that the energies and virial are incorrect when not converged */
if (fplog)
{
fprintf(fplog,
"step %s: EM did not converge in %d iterations, RMS force %.3f\n",
gmx_step_str(mdstep, sbuf), number_steps, df[Min]);
}
fprintf(stderr,
"step %s: EM did not converge in %d iterations, RMS force %.3f\n",
gmx_step_str(mdstep, sbuf), number_steps, df[Min]);
}
/* Copy back the coordinates and the forces */
memcpy(state->x, pos[Min], nat*sizeof(state->x[0]));
memcpy(f, force[Min], nat*sizeof(f[0]));
return count;
}
void
process_command(int descr, dbref player, char *command)
{
char *arg1;
char *arg2;
char *full_command;
char *p; /* utility */
char pbuf[BUFFER_LEN];
char xbuf[BUFFER_LEN];
char ybuf[BUFFER_LEN];
struct timeval starttime;
struct timeval endtime;
double totaltime;
if (command == 0)
abort();
/* robustify player */
if (player < 0 || player >= db_top ||
(Typeof(player) != TYPE_PLAYER && Typeof(player) != TYPE_THING)) {
log_status("process_command: bad player %d", player);
return;
}
if ((tp_log_commands || Wizard(OWNER(player)))) {
if (!(FLAGS(player) & (INTERACTIVE | READMODE))) {
if (!*command) {
return;
}
log_command("%s: %s", whowhere(player), command);
} else {
if (tp_log_interactive) {
log_command("%s: %s%s", whowhere(player),
(FLAGS(player) & (READMODE)) ? "[READ] " : "[INTERP] ", command);
}
}
}
if (FLAGS(player) & INTERACTIVE) {
interactive(descr, player, command);
return;
}
/* eat leading whitespace */
while (*command && isspace(*command))
command++;
/* Disable null command once past READ line */
if (!*command)
return;
/* check for single-character commands */
if (!tp_enable_prefix) {
if (*command == SAY_TOKEN) {
snprintf(pbuf, sizeof(pbuf), "say %s", command + 1);
command = &pbuf[0];
} else if (*command == POSE_TOKEN) {
snprintf(pbuf, sizeof(pbuf), "pose %s", command + 1);
command = &pbuf[0];
} else if (*command == EXIT_DELIMITER) {
snprintf(pbuf, sizeof(pbuf), "delimiter %s", command + 1);
command = &pbuf[0];
}
}
/* profile how long command takes. */
gettimeofday(&starttime, NULL);
/* if player is a wizard, and uses overide token to start line... */
/* ... then do NOT run actions, but run the command they specify. */
if (!(TrueWizard(OWNER(player)) && (*command == OVERIDE_TOKEN))) {
if (can_move(descr, player, command, 0)) {
do_move(descr, player, command, 0); /* command is exact match for exit */
*match_args = 0;
*match_cmdname = 0;
} else {
if (tp_enable_prefix) {
if (*command == SAY_TOKEN) {
snprintf(pbuf, sizeof(pbuf), "say %s", command + 1);
command = &pbuf[0];
} else if (*command == POSE_TOKEN) {
snprintf(pbuf, sizeof(pbuf), "pose %s", command + 1);
command = &pbuf[0];
} else if (*command == EXIT_DELIMITER) {
snprintf(pbuf, sizeof(pbuf), "delimiter %s", command + 1);
command = &pbuf[0];
} else {
goto bad_pre_command;
}
if (can_move(descr, player, command, 0)) {
do_move(descr, player, command, 0); /* command is exact match for exit */
*match_args = 0;
*match_cmdname = 0;
} else {
goto bad_pre_command;
}
} else {
goto bad_pre_command;
}
}
} else {
bad_pre_command:
if (TrueWizard(OWNER(player)) && (*command == OVERIDE_TOKEN))
command++;
full_command = strcpyn(xbuf, sizeof(xbuf), command);
for (; *full_command && !isspace(*full_command); full_command++) ;
if (*full_command)
full_command++;
/* find arg1 -- move over command word */
command = strcpyn(ybuf, sizeof(ybuf), command);
for (arg1 = command; *arg1 && !isspace(*arg1); arg1++) ;
/* truncate command */
if (*arg1)
*arg1++ = '\0';
/* remember command for programs */
strcpyn(match_args, sizeof(match_args), full_command);
strcpyn(match_cmdname, sizeof(match_cmdname), command);
/* move over spaces */
while (*arg1 && isspace(*arg1))
arg1++;
/* find end of arg1, start of arg2 */
for (arg2 = arg1; *arg2 && *arg2 != ARG_DELIMITER; arg2++) ;
/* truncate arg1 */
for (p = arg2 - 1; p >= arg1 && isspace(*p); p--)
*p = '\0';
/* go past delimiter if present */
if (*arg2)
*arg2++ = '\0';
while (*arg2 && isspace(*arg2))
arg2++;
switch (command[0]) {
case '@':
switch (command[1]) {
case 'a':
case 'A':
/* @action, @armageddon, @attach */
switch (command[2]) {
case 'c':
case 'C':
Matched("@action");
NOGUEST("@action", player);
BUILDERONLY("@action", player);
do_action(descr, player, arg1, arg2);
break;
case 'r':
case 'R':
if (strcmp(command, "@armageddon"))
goto bad;
/*
WIZARDONLY("@armageddon", player);
PLAYERONLY("@armageddon", player);
*/
do_armageddon(player, full_command);
break;
case 't':
case 'T':
Matched("@attach");
NOGUEST("@attach", player);
BUILDERONLY("@attach", player);
do_attach(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'b':
case 'B':
/* @bless, @boot */
switch (command[2]) {
case 'l':
case 'L':
Matched("@bless");
WIZARDONLY("@bless", player);
PLAYERONLY("@bless", player);
NOFORCE("@bless", force_level, player);
do_bless(descr, player, arg1, arg2);
break;
case 'o':
case 'O':
Matched("@boot");
WIZARDONLY("@boot", player);
PLAYERONLY("@boot", player);
do_boot(player, arg1);
break;
default:
goto bad;
}
break;
case 'c':
case 'C':
/* @chlock, @chown, @chown_lock, @clone,
@conlock, @contents, @create, @credits */
switch (command[2]) {
case 'h':
case 'H':
switch (command[3]) {
case 'l':
case 'L':
Matched("@chlock");
NOGUEST("@chlock", player);
set_standard_lock(descr, player, arg1, MESGPROP_CHLOCK, "Chown Lock", arg2);
break;
case 'o':
case 'O':
if(strlen(command) < 7) {
Matched("@chown");
do_chown(descr, player, arg1, arg2);
} else {
Matched("@chown_lock");
NOGUEST("@chown_lock", player);
set_standard_lock(descr, player, arg1, MESGPROP_CHLOCK, "Chown Lock", arg2);
}
break;
default:
goto bad;
}
break;
case 'l':
case 'L':
Matched("@clone");
NOGUEST("@clone", player);
BUILDERONLY("@clone", player);
do_clone(descr, player, arg1);
break;
case 'o':
case 'O':
switch (command[4]) {
case 'l':
case 'L':
Matched("@conlock");
NOGUEST("@conlock", player);
set_standard_lock(descr, player, arg1, MESGPROP_CONLOCK, "Container Lock", arg2);
break;
case 't':
case 'T':
Matched("@contents");
do_contents(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'r':
case 'R':
if (string_compare(command, "@credits")) {
Matched("@create");
NOGUEST("@create", player);
BUILDERONLY("@create", player);
do_create(player, arg1, arg2);
} else {
do_credits(player);
}
break;
default:
goto bad;
}
break;
case 'd':
case 'D':
/* @dbginfo, @describe, @dig, @doing,
@drop, @dump */
switch (command[2]) {
#ifdef DISKBASE
case 'b':
case 'B':
Matched("@dbginfo");
WIZARDONLY("@dbginfo", player);
diskbase_debug(player);
break;
#endif
case 'e':
case 'E':
Matched("@describe");
NOGUEST("@describe", player);
set_standard_property(descr, player, arg1, MESGPROP_DESC, "Object Description", arg2);
break;
case 'i':
case 'I':
Matched("@dig");
NOGUEST("@dig", player);
BUILDERONLY("@dig", player);
do_dig(descr, player, arg1, arg2);
break;
case 'o':
case 'O':
Matched("@doing");
if (!tp_who_doing)
goto bad;
NOGUEST("@doing", player);
set_standard_property(descr, player, arg1, MESGPROP_DOING, "Doing", arg2);
break;
case 'r':
case 'R':
Matched("@drop");
NOGUEST("@drop", player);
set_standard_property(descr, player, arg1, MESGPROP_DROP, "Drop Message", arg2);
break;
case 'u':
case 'U':
Matched("@dump");
WIZARDONLY("@dump", player);
PLAYERONLY("@dump", player);
do_dump(player, full_command);
break;
default:
goto bad;
}
break;
case 'e':
case 'E':
/* @edit, @entrances, @examine */
switch (command[2]) {
case 'd':
case 'D':
Matched("@edit");
NOGUEST("@edit", player);
PLAYERONLY("@edit", player);
MUCKERONLY("@edit", player);
do_edit(descr, player, arg1);
break;
case 'n':
case 'N':
Matched("@entrances");
do_entrances(descr, player, arg1, arg2);
break;
case 'x':
case 'X':
Matched("@examine");
GODONLY("@examine", player);
sane_dump_object(player, arg1);
break;
default:
goto bad;
}
break;
case 'f':
case 'F':
/* @fail, @find, @flock, @force, @force_lock */
switch (command[2]) {
case 'a':
case 'A':
Matched("@fail");
NOGUEST("@fail", player);
set_standard_property(descr, player, arg1, MESGPROP_FAIL, "Fail Message", arg2);
break;
case 'i':
case 'I':
Matched("@find");
do_find(player, arg1, arg2);
break;
case 'l':
case 'L':
Matched("@flock");
NOGUEST("@flock", player);
NOFORCE("@flock", force_level, player);
set_standard_lock(descr, player, arg1, MESGPROP_FLOCK, "Force Lock", arg2);
break;
case 'o':
case 'O':
if(strlen(command) < 7) {
Matched("@force");
do_force(descr, player, arg1, arg2);
} else {
Matched("@force_lock");
NOGUEST("@force_lock", player);
NOFORCE("@force_lock", force_level, player);
set_standard_lock(descr, player, arg1, MESGPROP_FLOCK, "Force Lock", arg2);
}
break;
default:
goto bad;
}
break;
case 'h':
case 'H':
/* @hashes */
Matched("@hashes");
do_hashes(player, arg1);
break;
case 'i':
case 'I':
/* @idescribe */
Matched("@idescribe");
NOGUEST("@idescribe", player);
set_standard_property(descr, player, arg1, MESGPROP_IDESC, "Inside Description", arg2);
break;
case 'k':
case 'K':
/* @kill */
Matched("@kill");
do_dequeue(descr, player, arg1);
break;
case 'l':
case 'L':
/* @link, @list, @lock */
switch (command[2]) {
case 'i':
case 'I':
switch (command[3]) {
case 'n':
case 'N':
Matched("@link");
NOGUEST("@link", player);
do_link(descr, player, arg1, arg2);
break;
case 's':
case 'S':
Matched("@list");
match_and_list(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'o':
case 'O':
Matched("@lock");
NOGUEST("@lock", player);
set_standard_lock(descr, player, arg1, MESGPROP_LOCK, "Lock", arg2);
break;
default:
goto bad;
}
break;
case 'm':
case 'M':
/* @mcpedit, @mcpprogram, @memory, @mpitops,
@muftops */
switch (command[2]) {
#ifdef MCP_SUPPORT
case 'c':
case 'C':
if (string_prefix("@mcpedit", command)) {
Matched("@mcpedit");
NOGUEST("@mcpedit", player);
PLAYERONLY("@mcpedit", player);
MUCKERONLY("@mcpedit", player);
do_mcpedit(descr, player, arg1);
break;
} else {
Matched("@mcpprogram");
NOGUEST("@mcpprogram", player);
PLAYERONLY("@mcpprogram", player);
MUCKERONLY("@mcpprogram", player);
do_mcpprogram(descr, player, arg1);
break;
}
#endif
#ifndef NO_MEMORY_COMMAND
case 'e':
case 'E':
Matched("@memory");
WIZARDONLY("@memory", player);
do_memory(player);
break;
#endif
case 'p':
case 'P':
Matched("@mpitops");
WIZARDONLY("@mpitops", player);
do_mpi_topprofs(player, arg1);
break;
case 'u':
case 'U':
Matched("@muftops");
WIZARDONLY("@muftops", player);
do_muf_topprofs(player, arg1);
break;
default:
goto bad;
}
break;
case 'n':
case 'N':
/* @name, @newpassword */
switch (command[2]) {
case 'a':
case 'A':
Matched("@name");
NOGUEST("@name", player);
do_name(descr, player, arg1, arg2);
break;
case 'e':
case 'E':
if (strcmp(command, "@newpassword"))
goto bad;
WIZARDONLY("@newpassword", player);
PLAYERONLY("@newpassword", player);
do_newpassword(player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'o':
case 'O':
/* @odrop, @oecho, @ofail, @open, @osuccess,
@owned */
switch (command[2]) {
case 'd':
case 'D':
Matched("@odrop");
NOGUEST("@odrop", player);
set_standard_property(descr, player, arg1, MESGPROP_ODROP, "ODrop Message", arg2);
break;
case 'e':
case 'E':
Matched("@oecho");
NOGUEST("@oecho", player);
set_standard_property(descr, player, arg1, MESGPROP_OECHO, "Outside-echo Prefix", arg2);
break;
case 'f':
case 'F':
Matched("@ofail");
NOGUEST("@ofail", player);
set_standard_property(descr, player, arg1, MESGPROP_OFAIL, "OFail Message", arg2);
break;
case 'p':
case 'P':
Matched("@open");
NOGUEST("@open", player);
BUILDERONLY("@open", player);
do_open(descr, player, arg1, arg2);
break;
case 's':
case 'S':
Matched("@osuccess");
NOGUEST("@osuccess", player);
set_standard_property(descr, player, arg1, MESGPROP_OSUCC, "OSuccess Message", arg2);
break;
case 'w':
case 'W':
Matched("@owned");
do_owned(player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'p':
case 'P':
/* @password, @pcreate, @pecho, @program,
@propset, @ps */
switch (command[2]) {
case 'a':
case 'A':
Matched("@password");
PLAYERONLY("@password", player);
NOGUEST("@password", player);
do_password(player, arg1, arg2);
break;
case 'c':
case 'C':
Matched("@pcreate");
WIZARDONLY("@pcreate", player);
PLAYERONLY("@pcreate", player);
do_pcreate(player, arg1, arg2);
break;
case 'e':
case 'E':
Matched("@pecho");
NOGUEST("@pecho", player);
set_standard_property(descr, player, arg1, MESGPROP_PECHO, "Puppet-echo Prefix", arg2);
break;
case 'r':
case 'R':
if (string_prefix("@program", command)) {
Matched("@program");
NOGUEST("@program", player);
PLAYERONLY("@program", player);
MUCKERONLY("@program", player);
do_prog(descr, player, arg1);
break;
} else {
Matched("@propset");
NOGUEST("@propset", player);
do_propset(descr, player, arg1, arg2);
break;
}
case 's':
case 'S':
Matched("@ps");
list_events(player);
break;
default:
goto bad;
}
break;
case 'r':
case 'R':
/* @recycle, @reconfiguressl, @relink, @restart, @restrict */
switch (command[3]) {
case 'c':
case 'C':
#ifdef USE_SSL
if (!strcmp(command, "@reconfiguressl")) {
WIZARDONLY("@reconfiguressl", player);
PLAYERONLY("@reconfiguressl", player);
do_reconfigure_ssl(player);
break;
}
#endif
Matched("@recycle");
NOGUEST("@recycle", player);
do_recycle(descr, player, arg1);
break;
case 'l':
case 'L':
Matched("@relink");
NOGUEST("@relink", player);
do_relink(descr, player, arg1, arg2);
break;
case 's':
case 'S':
if (!strcmp(command, "@restart")) {
/*
WIZARDONLY("@restart", player);
PLAYERONLY("@restart", player);
*/
do_restart(player);
} else if (!strcmp(command, "@restrict")) {
WIZARDONLY("@restrict", player);
PLAYERONLY("@restrict", player);
do_restrict(player, arg1);
} else {
goto bad;
}
break;
default:
goto bad;
}
break;
case 's':
case 'S':
/* @sanity, @sanchange, @sanfix, @set,
@shutdown, @stats, @success, @sweep */
switch (command[2]) {
case 'a':
case 'A':
if (!strcmp(command, "@sanity")) {
GODONLY("@sanity", player);
sanity(player);
} else if (!strcmp(command, "@sanchange")) {
GODONLY("@sanchange", player);
sanechange(player, full_command);
} else if (!strcmp(command, "@sanfix")) {
GODONLY("@sanfix", player);
sanfix(player);
} else {
goto bad;
}
break;
case 'e':
case 'E':
Matched("@set");
NOGUEST("@set", player);
do_set(descr, player, arg1, arg2);
break;
case 'h':
case 'H':
if (strcmp(command, "@shutdown"))
goto bad;
/*
WIZARDONLY("@shutdown", player);
PLAYERONLY("@shutdown", player);
*/
do_shutdown(player);
break;
case 't':
case 'T':
Matched("@stats");
do_stats(player, arg1);
break;
case 'u':
case 'U':
Matched("@success");
NOGUEST("@success", player);
set_standard_property(descr, player, arg1, MESGPROP_SUCC, "Success Message", arg2);
break;
case 'w':
case 'W':
Matched("@sweep");
do_sweep(descr, player, arg1);
break;
default:
goto bad;
}
break;
case 't':
case 'T':
/* @teleport, @toad, @trace, @tune */
switch (command[2]) {
case 'e':
case 'E':
Matched("@teleport");
do_teleport(descr, player, arg1, arg2);
break;
case 'o':
case 'O':
if (!strcmp(command, "@toad")) {
WIZARDONLY("@toad", player);
PLAYERONLY("@toad", player);
do_toad(descr, player, arg1, arg2);
} else if (!strcmp(command, "@tops")) {
WIZARDONLY("@tops", player);
do_all_topprofs(player, arg1);
} else {
goto bad;
}
break;
case 'r':
case 'R':
Matched("@trace");
do_trace(descr, player, arg1, atoi(arg2));
break;
case 'u':
case 'U':
Matched("@tune");
WIZARDONLY("@tune", player);
PLAYERONLY("@tune", player);
do_tune(player, arg1, arg2, !!strchr(full_command, ARG_DELIMITER));
break;
default:
goto bad;
}
break;
case 'u':
case 'U':
/* @unbless, @unlink, @unlock, @uncompile,
@usage */
switch (command[2]) {
case 'N':
case 'n':
if (string_prefix(command, "@unb")) {
Matched("@unbless");
WIZARDONLY("@unbless", player);
PLAYERONLY("@unbless", player);
NOFORCE("@unbless", force_level, player);
do_unbless(descr, player, arg1, arg2);
} else if (string_prefix(command, "@unli")) {
Matched("@unlink");
NOGUEST("@unlink", player);
do_unlink(descr, player, arg1);
} else if (string_prefix(command, "@unlo")) {
Matched("@unlock");
NOGUEST("@unlock", player);
set_standard_lock(descr, player, arg1, MESGPROP_LOCK, "Lock", "");
} else if (string_prefix(command, "@uncom")) {
Matched("@uncompile");
WIZARDONLY("@uncompile", player);
PLAYERONLY("@uncompile", player);
do_uncompile(player);
} else {
goto bad;
}
break;
#ifndef NO_USAGE_COMMAND
case 'S':
case 's':
Matched("@usage");
WIZARDONLY("@usage", player);
do_usage(player);
break;
#endif
default:
goto bad;
break;
}
break;
case 'v':
case 'V':
/* @version */
Matched("@version");
do_version(player);
break;
case 'w':
case 'W':
/* @wall */
if (strcmp(command, "@wall"))
goto bad;
WIZARDONLY("@wall", player);
PLAYERONLY("@wall", player);
do_wall(player, full_command);
break;
default:
goto bad;
}
break;
case 'd':
case 'D':
/* disembark, drop */
switch (command[1]) {
case 'i':
case 'I':
Matched("disembark");
do_leave(descr, player);
break;
case 'r':
case 'R':
Matched("drop");
do_drop(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'e':
case 'E':
/* examine */
Matched("examine");
do_examine(descr, player, arg1, arg2);
break;
case 'g':
case 'G':
/* get, give, goto, gripe */
switch (command[1]) {
case 'e':
case 'E':
Matched("get");
do_get(descr, player, arg1, arg2);
break;
case 'i':
case 'I':
Matched("give");
do_give(descr, player, arg1, atoi(arg2));
break;
case 'o':
case 'O':
Matched("goto");
do_move(descr, player, arg1, 0);
break;
case 'r':
case 'R':
if (string_compare(command, "gripe"))
goto bad;
do_gripe(player, full_command);
break;
default:
goto bad;
}
break;
case 'h':
case 'H':
/* help */
Matched("help");
do_help(player, arg1, arg2);
break;
case 'i':
case 'I':
/* inventory, info */
if (string_compare(command, "info")) {
Matched("inventory");
do_inventory(player);
} else {
Matched("info");
do_info(player, arg1, arg2);
}
break;
case 'k':
case 'K':
/* kill */
Matched("kill");
do_kill(descr, player, arg1, atoi(arg2));
break;
case 'l':
case 'L':
/* leave, look */
if (string_prefix("look", command)) {
Matched("look");
do_look_at(descr, player, arg1, arg2);
break;
} else {
Matched("leave");
do_leave(descr, player);
break;
}
case 'm':
case 'M':
/* man, motd, move, mpi */
if (string_prefix(command, "move")) {
do_move(descr, player, arg1, 0);
break;
} else if (!string_compare(command, "motd")) {
do_motd(player, full_command);
break;
} else if (!string_compare(command, "mpi")) {
do_mpihelp(player, arg1, arg2);
break;
} else {
if (string_compare(command, "man"))
goto bad;
do_man(player, (!*arg1 && !*arg2 && arg1 != arg2) ? "=" : arg1, arg2);
}
break;
case 'n':
case 'N':
/* news */
Matched("news");
do_news(player, arg1, arg2);
break;
case 'p':
case 'P':
/* page, pose, put */
switch (command[1]) {
case 'a':
case 'A':
Matched("page");
do_page(player, arg1, arg2);
break;
case 'o':
case 'O':
Matched("pose");
do_pose(player, full_command);
break;
case 'u':
case 'U':
Matched("put");
do_drop(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'r':
case 'R':
/* read, rob */
switch (command[1]) {
case 'e':
case 'E':
Matched("read"); /* undocumented alias for look */
do_look_at(descr, player, arg1, arg2);
break;
case 'o':
case 'O':
Matched("rob");
do_rob(descr, player, arg1);
break;
default:
goto bad;
}
break;
case 's':
case 'S':
/* say, score */
switch (command[1]) {
case 'a':
case 'A':
Matched("say");
do_say(player, full_command);
break;
case 'c':
case 'C':
Matched("score");
do_score(player);
break;
default:
goto bad;
}
break;
case 't':
case 'T':
/* take, throw */
switch (command[1]) {
case 'a':
case 'A':
Matched("take");
do_get(descr, player, arg1, arg2);
break;
case 'h':
case 'H':
Matched("throw");
do_drop(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'w':
case 'W':
/* whisper */
Matched("whisper");
do_whisper(descr, player, arg1, arg2);
break;
default:
bad:
if (tp_m3_huh != 0)
{
char hbuf[BUFFER_LEN];
snprintf(hbuf,BUFFER_LEN,"HUH? %s", command);
if(can_move(descr, player, hbuf, 3)) {
do_move(descr, player, hbuf, 3);
*match_args = 0;
*match_cmdname = 0;
break;
}
}
notify(player, tp_huh_mesg);
if (tp_log_failed_commands && !controls(player, LOCATION(player))) {
log_status("HUH from %s(%d) in %s(%d)[%s]: %s %s",
NAME(player), player, NAME(LOCATION(player)),
LOCATION(player),
NAME(OWNER(LOCATION(player))), command, full_command);
}
break;
}
}
/* calculate time command took. */
gettimeofday(&endtime, NULL);
if (starttime.tv_usec > endtime.tv_usec) {
endtime.tv_usec += 1000000;
endtime.tv_sec -= 1;
}
endtime.tv_usec -= starttime.tv_usec;
endtime.tv_sec -= starttime.tv_sec;
totaltime = endtime.tv_sec + (endtime.tv_usec * 1.0e-6);
if (totaltime > (tp_cmd_log_threshold_msec / 1000.0)) {
log2file(LOG_CMD_TIMES, "%6.3fs, %.16s: %s: %s",
totaltime, ctime((time_t *)&starttime.tv_sec),
whowhere(player), command);
}
}
double do_tpi(FILE *fplog, t_commrec *cr,
int nfile, const t_filenm fnm[],
const output_env_t oenv, gmx_bool bVerbose, gmx_bool gmx_unused bCompact,
int gmx_unused nstglobalcomm,
gmx_vsite_t gmx_unused *vsite, gmx_constr_t gmx_unused constr,
int gmx_unused stepout,
t_inputrec *inputrec,
gmx_mtop_t *top_global, t_fcdata *fcd,
t_state *state,
t_mdatoms *mdatoms,
t_nrnb *nrnb, gmx_wallcycle_t wcycle,
gmx_edsam_t gmx_unused ed,
t_forcerec *fr,
int gmx_unused repl_ex_nst, int gmx_unused repl_ex_nex, int gmx_unused repl_ex_seed,
gmx_membed_t gmx_unused membed,
real gmx_unused cpt_period, real gmx_unused max_hours,
const char gmx_unused *deviceOptions,
int gmx_unused imdport,
unsigned long gmx_unused Flags,
gmx_walltime_accounting_t walltime_accounting)
{
const char *TPI = "Test Particle Insertion";
gmx_localtop_t *top;
gmx_groups_t *groups;
gmx_enerdata_t *enerd;
rvec *f;
real lambda, t, temp, beta, drmax, epot;
double embU, sum_embU, *sum_UgembU, V, V_all, VembU_all;
t_trxstatus *status;
t_trxframe rerun_fr;
gmx_bool bDispCorr, bCharge, bRFExcl, bNotLastFrame, bStateChanged, bNS;
tensor force_vir, shake_vir, vir, pres;
int cg_tp, a_tp0, a_tp1, ngid, gid_tp, nener, e;
rvec *x_mol;
rvec mu_tot, x_init, dx, x_tp;
int nnodes, frame;
gmx_int64_t frame_step_prev, frame_step;
gmx_int64_t nsteps, stepblocksize = 0, step;
gmx_int64_t rnd_count_stride, rnd_count;
gmx_int64_t seed;
double rnd[4];
int i, start, end;
FILE *fp_tpi = NULL;
char *ptr, *dump_pdb, **leg, str[STRLEN], str2[STRLEN];
double dbl, dump_ener;
gmx_bool bCavity;
int nat_cavity = 0, d;
real *mass_cavity = NULL, mass_tot;
int nbin;
double invbinw, *bin, refvolshift, logV, bUlogV;
real dvdl, prescorr, enercorr, dvdlcorr;
gmx_bool bEnergyOutOfBounds;
const char *tpid_leg[2] = {"direct", "reweighted"};
/* Since there is no upper limit to the insertion energies,
* we need to set an upper limit for the distribution output.
*/
real bU_bin_limit = 50;
real bU_logV_bin_limit = bU_bin_limit + 10;
nnodes = cr->nnodes;
top = gmx_mtop_generate_local_top(top_global, inputrec);
groups = &top_global->groups;
bCavity = (inputrec->eI == eiTPIC);
if (bCavity)
{
ptr = getenv("GMX_TPIC_MASSES");
if (ptr == NULL)
{
nat_cavity = 1;
}
else
{
/* Read (multiple) masses from env var GMX_TPIC_MASSES,
* The center of mass of the last atoms is then used for TPIC.
*/
nat_cavity = 0;
while (sscanf(ptr, "%lf%n", &dbl, &i) > 0)
{
srenew(mass_cavity, nat_cavity+1);
mass_cavity[nat_cavity] = dbl;
fprintf(fplog, "mass[%d] = %f\n",
nat_cavity+1, mass_cavity[nat_cavity]);
nat_cavity++;
ptr += i;
}
if (nat_cavity == 0)
{
gmx_fatal(FARGS, "Found %d masses in GMX_TPIC_MASSES", nat_cavity);
}
}
}
/*
init_em(fplog,TPI,inputrec,&lambda,nrnb,mu_tot,
state->box,fr,mdatoms,top,cr,nfile,fnm,NULL,NULL);*/
/* We never need full pbc for TPI */
fr->ePBC = epbcXYZ;
/* Determine the temperature for the Boltzmann weighting */
temp = inputrec->opts.ref_t[0];
if (fplog)
{
for (i = 1; (i < inputrec->opts.ngtc); i++)
{
if (inputrec->opts.ref_t[i] != temp)
{
fprintf(fplog, "\nWARNING: The temperatures of the different temperature coupling groups are not identical\n\n");
fprintf(stderr, "\nWARNING: The temperatures of the different temperature coupling groups are not identical\n\n");
}
}
fprintf(fplog,
"\n The temperature for test particle insertion is %.3f K\n\n",
temp);
}
beta = 1.0/(BOLTZ*temp);
/* Number of insertions per frame */
nsteps = inputrec->nsteps;
/* Use the same neighborlist with more insertions points
* in a sphere of radius drmax around the initial point
*/
/* This should be a proper mdp parameter */
drmax = inputrec->rtpi;
/* An environment variable can be set to dump all configurations
* to pdb with an insertion energy <= this value.
*/
dump_pdb = getenv("GMX_TPI_DUMP");
dump_ener = 0;
if (dump_pdb)
{
sscanf(dump_pdb, "%lf", &dump_ener);
}
atoms2md(top_global, inputrec, 0, NULL, top_global->natoms, mdatoms);
update_mdatoms(mdatoms, inputrec->fepvals->init_lambda);
snew(enerd, 1);
init_enerdata(groups->grps[egcENER].nr, inputrec->fepvals->n_lambda, enerd);
snew(f, top_global->natoms);
/* Print to log file */
walltime_accounting_start(walltime_accounting);
wallcycle_start(wcycle, ewcRUN);
print_start(fplog, cr, walltime_accounting, "Test Particle Insertion");
/* The last charge group is the group to be inserted */
cg_tp = top->cgs.nr - 1;
a_tp0 = top->cgs.index[cg_tp];
a_tp1 = top->cgs.index[cg_tp+1];
if (debug)
{
fprintf(debug, "TPI cg %d, atoms %d-%d\n", cg_tp, a_tp0, a_tp1);
}
if (a_tp1 - a_tp0 > 1 &&
(inputrec->rlist < inputrec->rcoulomb ||
inputrec->rlist < inputrec->rvdw))
{
gmx_fatal(FARGS, "Can not do TPI for multi-atom molecule with a twin-range cut-off");
}
snew(x_mol, a_tp1-a_tp0);
bDispCorr = (inputrec->eDispCorr != edispcNO);
bCharge = FALSE;
for (i = a_tp0; i < a_tp1; i++)
{
/* Copy the coordinates of the molecule to be insterted */
copy_rvec(state->x[i], x_mol[i-a_tp0]);
/* Check if we need to print electrostatic energies */
bCharge |= (mdatoms->chargeA[i] != 0 ||
(mdatoms->chargeB && mdatoms->chargeB[i] != 0));
}
bRFExcl = (bCharge && EEL_RF(fr->eeltype) && fr->eeltype != eelRF_NEC);
calc_cgcm(fplog, cg_tp, cg_tp+1, &(top->cgs), state->x, fr->cg_cm);
if (bCavity)
{
if (norm(fr->cg_cm[cg_tp]) > 0.5*inputrec->rlist && fplog)
{
fprintf(fplog, "WARNING: Your TPI molecule is not centered at 0,0,0\n");
fprintf(stderr, "WARNING: Your TPI molecule is not centered at 0,0,0\n");
}
}
else
{
/* Center the molecule to be inserted at zero */
for (i = 0; i < a_tp1-a_tp0; i++)
{
rvec_dec(x_mol[i], fr->cg_cm[cg_tp]);
}
}
if (fplog)
{
fprintf(fplog, "\nWill insert %d atoms %s partial charges\n",
a_tp1-a_tp0, bCharge ? "with" : "without");
fprintf(fplog, "\nWill insert %d times in each frame of %s\n",
(int)nsteps, opt2fn("-rerun", nfile, fnm));
}
if (!bCavity)
{
if (inputrec->nstlist > 1)
{
if (drmax == 0 && a_tp1-a_tp0 == 1)
{
gmx_fatal(FARGS, "Re-using the neighborlist %d times for insertions of a single atom in a sphere of radius %f does not make sense", inputrec->nstlist, drmax);
}
if (fplog)
{
fprintf(fplog, "Will use the same neighborlist for %d insertions in a sphere of radius %f\n", inputrec->nstlist, drmax);
}
}
}
else
{
if (fplog)
{
fprintf(fplog, "Will insert randomly in a sphere of radius %f around the center of the cavity\n", drmax);
}
}
ngid = groups->grps[egcENER].nr;
gid_tp = GET_CGINFO_GID(fr->cginfo[cg_tp]);
nener = 1 + ngid;
if (bDispCorr)
{
nener += 1;
}
if (bCharge)
{
nener += ngid;
if (bRFExcl)
{
nener += 1;
}
if (EEL_FULL(fr->eeltype))
{
nener += 1;
}
}
snew(sum_UgembU, nener);
/* Copy the random seed set by the user */
seed = inputrec->ld_seed;
/* We use the frame step number as one random counter.
* The second counter use the insertion (step) count. But we
* need multiple random numbers per insertion. This number is
* not fixed, since we generate random locations in a sphere
* by putting locations in a cube and some of these fail.
* A count of 20 is already extremely unlikely, so 10000 is
* a safe margin for random numbers per insertion.
*/
rnd_count_stride = 10000;
if (MASTER(cr))
{
fp_tpi = xvgropen(opt2fn("-tpi", nfile, fnm),
"TPI energies", "Time (ps)",
"(kJ mol\\S-1\\N) / (nm\\S3\\N)", oenv);
xvgr_subtitle(fp_tpi, "f. are averages over one frame", oenv);
snew(leg, 4+nener);
e = 0;
sprintf(str, "-kT log(<Ve\\S-\\betaU\\N>/<V>)");
leg[e++] = strdup(str);
sprintf(str, "f. -kT log<e\\S-\\betaU\\N>");
leg[e++] = strdup(str);
sprintf(str, "f. <e\\S-\\betaU\\N>");
leg[e++] = strdup(str);
sprintf(str, "f. V");
leg[e++] = strdup(str);
sprintf(str, "f. <Ue\\S-\\betaU\\N>");
leg[e++] = strdup(str);
for (i = 0; i < ngid; i++)
{
sprintf(str, "f. <U\\sVdW %s\\Ne\\S-\\betaU\\N>",
*(groups->grpname[groups->grps[egcENER].nm_ind[i]]));
leg[e++] = strdup(str);
}
if (bDispCorr)
{
sprintf(str, "f. <U\\sdisp c\\Ne\\S-\\betaU\\N>");
leg[e++] = strdup(str);
}
if (bCharge)
{
for (i = 0; i < ngid; i++)
{
sprintf(str, "f. <U\\sCoul %s\\Ne\\S-\\betaU\\N>",
*(groups->grpname[groups->grps[egcENER].nm_ind[i]]));
leg[e++] = strdup(str);
}
if (bRFExcl)
{
sprintf(str, "f. <U\\sRF excl\\Ne\\S-\\betaU\\N>");
leg[e++] = strdup(str);
}
if (EEL_FULL(fr->eeltype))
{
sprintf(str, "f. <U\\sCoul recip\\Ne\\S-\\betaU\\N>");
leg[e++] = strdup(str);
}
}
xvgr_legend(fp_tpi, 4+nener, (const char**)leg, oenv);
for (i = 0; i < 4+nener; i++)
{
sfree(leg[i]);
}
sfree(leg);
}
clear_rvec(x_init);
V_all = 0;
VembU_all = 0;
invbinw = 10;
nbin = 10;
snew(bin, nbin);
/* Avoid frame step numbers <= -1 */
frame_step_prev = -1;
bNotLastFrame = read_first_frame(oenv, &status, opt2fn("-rerun", nfile, fnm),
&rerun_fr, TRX_NEED_X);
frame = 0;
if (rerun_fr.natoms - (bCavity ? nat_cavity : 0) !=
mdatoms->nr - (a_tp1 - a_tp0))
{
gmx_fatal(FARGS, "Number of atoms in trajectory (%d)%s "
"is not equal the number in the run input file (%d) "
"minus the number of atoms to insert (%d)\n",
rerun_fr.natoms, bCavity ? " minus one" : "",
mdatoms->nr, a_tp1-a_tp0);
}
refvolshift = log(det(rerun_fr.box));
switch (inputrec->eI)
{
case eiTPI:
stepblocksize = inputrec->nstlist;
break;
case eiTPIC:
stepblocksize = 1;
break;
default:
gmx_fatal(FARGS, "Unknown integrator %s", ei_names[inputrec->eI]);
}
#ifdef GMX_SIMD
/* Make sure we don't detect SIMD overflow generated before this point */
gmx_simd_check_and_reset_overflow();
#endif
while (bNotLastFrame)
{
frame_step = rerun_fr.step;
if (frame_step <= frame_step_prev)
{
/* We don't have step number in the trajectory file,
* or we have constant or decreasing step numbers.
* Ensure we have increasing step numbers, since we use
* the step numbers as a counter for random numbers.
*/
frame_step = frame_step_prev + 1;
}
frame_step_prev = frame_step;
lambda = rerun_fr.lambda;
t = rerun_fr.time;
sum_embU = 0;
for (e = 0; e < nener; e++)
{
sum_UgembU[e] = 0;
}
/* Copy the coordinates from the input trajectory */
for (i = 0; i < rerun_fr.natoms; i++)
{
copy_rvec(rerun_fr.x[i], state->x[i]);
}
copy_mat(rerun_fr.box, state->box);
V = det(state->box);
logV = log(V);
bStateChanged = TRUE;
bNS = TRUE;
step = cr->nodeid*stepblocksize;
while (step < nsteps)
{
/* Initialize the second counter for random numbers using
* the insertion step index. This ensures that we get
* the same random numbers independently of how many
* MPI ranks we use. Also for the same seed, we get
* the same initial random sequence for different nsteps.
*/
rnd_count = step*rnd_count_stride;
if (!bCavity)
{
/* Random insertion in the whole volume */
bNS = (step % inputrec->nstlist == 0);
if (bNS)
{
/* Generate a random position in the box */
gmx_rng_cycle_2uniform(frame_step, rnd_count++, seed, RND_SEED_TPI, rnd);
gmx_rng_cycle_2uniform(frame_step, rnd_count++, seed, RND_SEED_TPI, rnd+2);
for (d = 0; d < DIM; d++)
{
x_init[d] = rnd[d]*state->box[d][d];
}
}
if (inputrec->nstlist == 1)
{
copy_rvec(x_init, x_tp);
}
else
{
/* Generate coordinates within |dx|=drmax of x_init */
do
{
gmx_rng_cycle_2uniform(frame_step, rnd_count++, seed, RND_SEED_TPI, rnd);
gmx_rng_cycle_2uniform(frame_step, rnd_count++, seed, RND_SEED_TPI, rnd+2);
for (d = 0; d < DIM; d++)
{
dx[d] = (2*rnd[d] - 1)*drmax;
}
}
while (norm2(dx) > drmax*drmax);
rvec_add(x_init, dx, x_tp);
}
}
else
{
/* Random insertion around a cavity location
* given by the last coordinate of the trajectory.
*/
if (step == 0)
{
if (nat_cavity == 1)
{
/* Copy the location of the cavity */
copy_rvec(rerun_fr.x[rerun_fr.natoms-1], x_init);
}
else
{
/* Determine the center of mass of the last molecule */
clear_rvec(x_init);
mass_tot = 0;
for (i = 0; i < nat_cavity; i++)
{
for (d = 0; d < DIM; d++)
{
x_init[d] +=
mass_cavity[i]*rerun_fr.x[rerun_fr.natoms-nat_cavity+i][d];
}
mass_tot += mass_cavity[i];
}
for (d = 0; d < DIM; d++)
{
x_init[d] /= mass_tot;
}
}
}
/* Generate coordinates within |dx|=drmax of x_init */
do
{
gmx_rng_cycle_2uniform(frame_step, rnd_count++, seed, RND_SEED_TPI, rnd);
gmx_rng_cycle_2uniform(frame_step, rnd_count++, seed, RND_SEED_TPI, rnd+2);
for (d = 0; d < DIM; d++)
{
dx[d] = (2*rnd[d] - 1)*drmax;
}
}
while (norm2(dx) > drmax*drmax);
rvec_add(x_init, dx, x_tp);
}
if (a_tp1 - a_tp0 == 1)
{
/* Insert a single atom, just copy the insertion location */
copy_rvec(x_tp, state->x[a_tp0]);
}
else
{
/* Copy the coordinates from the top file */
for (i = a_tp0; i < a_tp1; i++)
{
copy_rvec(x_mol[i-a_tp0], state->x[i]);
}
/* Rotate the molecule randomly */
gmx_rng_cycle_2uniform(frame_step, rnd_count++, seed, RND_SEED_TPI, rnd);
gmx_rng_cycle_2uniform(frame_step, rnd_count++, seed, RND_SEED_TPI, rnd+2);
rotate_conf(a_tp1-a_tp0, state->x+a_tp0, NULL,
2*M_PI*rnd[0],
2*M_PI*rnd[1],
2*M_PI*rnd[2]);
/* Shift to the insertion location */
for (i = a_tp0; i < a_tp1; i++)
{
rvec_inc(state->x[i], x_tp);
}
}
/* Clear some matrix variables */
clear_mat(force_vir);
clear_mat(shake_vir);
clear_mat(vir);
clear_mat(pres);
/* Set the charge group center of mass of the test particle */
copy_rvec(x_init, fr->cg_cm[top->cgs.nr-1]);
/* Calc energy (no forces) on new positions.
* Since we only need the intermolecular energy
* and the RF exclusion terms of the inserted molecule occur
* within a single charge group we can pass NULL for the graph.
* This also avoids shifts that would move charge groups
* out of the box.
*
* Some checks above ensure than we can not have
* twin-range interactions together with nstlist > 1,
* therefore we do not need to remember the LR energies.
*/
/* Make do_force do a single node force calculation */
cr->nnodes = 1;
do_force(fplog, cr, inputrec,
step, nrnb, wcycle, top, &top_global->groups,
state->box, state->x, &state->hist,
f, force_vir, mdatoms, enerd, fcd,
state->lambda,
NULL, fr, NULL, mu_tot, t, NULL, NULL, FALSE,
GMX_FORCE_NONBONDED | GMX_FORCE_ENERGY |
(bNS ? GMX_FORCE_DYNAMICBOX | GMX_FORCE_NS | GMX_FORCE_DO_LR : 0) |
(bStateChanged ? GMX_FORCE_STATECHANGED : 0));
cr->nnodes = nnodes;
bStateChanged = FALSE;
bNS = FALSE;
/* Calculate long range corrections to pressure and energy */
calc_dispcorr(fplog, inputrec, fr, step, top_global->natoms, state->box,
lambda, pres, vir, &prescorr, &enercorr, &dvdlcorr);
/* figure out how to rearrange the next 4 lines MRS 8/4/2009 */
enerd->term[F_DISPCORR] = enercorr;
enerd->term[F_EPOT] += enercorr;
enerd->term[F_PRES] += prescorr;
enerd->term[F_DVDL_VDW] += dvdlcorr;
epot = enerd->term[F_EPOT];
bEnergyOutOfBounds = FALSE;
#ifdef GMX_SIMD_X86_SSE2_OR_HIGHER
/* With SSE the energy can overflow, check for this */
if (gmx_mm_check_and_reset_overflow())
{
if (debug)
{
fprintf(debug, "Found an SSE overflow, assuming the energy is out of bounds\n");
}
bEnergyOutOfBounds = TRUE;
}
#endif
/* If the compiler doesn't optimize this check away
* we catch the NAN energies.
* The epot>GMX_REAL_MAX check catches inf values,
* which should nicely result in embU=0 through the exp below,
* but it does not hurt to check anyhow.
*/
/* Non-bonded Interaction usually diverge at r=0.
* With tabulated interaction functions the first few entries
* should be capped in a consistent fashion between
* repulsion, dispersion and Coulomb to avoid accidental
* negative values in the total energy.
* The table generation code in tables.c does this.
* With user tbales the user should take care of this.
*/
if (epot != epot || epot > GMX_REAL_MAX)
{
bEnergyOutOfBounds = TRUE;
}
if (bEnergyOutOfBounds)
{
if (debug)
{
fprintf(debug, "\n time %.3f, step %d: non-finite energy %f, using exp(-bU)=0\n", t, (int)step, epot);
}
embU = 0;
}
else
{
embU = exp(-beta*epot);
sum_embU += embU;
/* Determine the weighted energy contributions of each energy group */
e = 0;
sum_UgembU[e++] += epot*embU;
if (fr->bBHAM)
{
for (i = 0; i < ngid; i++)
{
sum_UgembU[e++] +=
(enerd->grpp.ener[egBHAMSR][GID(i, gid_tp, ngid)] +
enerd->grpp.ener[egBHAMLR][GID(i, gid_tp, ngid)])*embU;
}
}
else
{
for (i = 0; i < ngid; i++)
{
sum_UgembU[e++] +=
(enerd->grpp.ener[egLJSR][GID(i, gid_tp, ngid)] +
enerd->grpp.ener[egLJLR][GID(i, gid_tp, ngid)])*embU;
}
}
if (bDispCorr)
{
sum_UgembU[e++] += enerd->term[F_DISPCORR]*embU;
}
if (bCharge)
{
for (i = 0; i < ngid; i++)
{
sum_UgembU[e++] +=
(enerd->grpp.ener[egCOULSR][GID(i, gid_tp, ngid)] +
enerd->grpp.ener[egCOULLR][GID(i, gid_tp, ngid)])*embU;
}
if (bRFExcl)
{
sum_UgembU[e++] += enerd->term[F_RF_EXCL]*embU;
}
if (EEL_FULL(fr->eeltype))
{
sum_UgembU[e++] += enerd->term[F_COUL_RECIP]*embU;
}
}
}
if (embU == 0 || beta*epot > bU_bin_limit)
{
bin[0]++;
}
else
{
i = (int)((bU_logV_bin_limit
- (beta*epot - logV + refvolshift))*invbinw
+ 0.5);
if (i < 0)
{
i = 0;
}
if (i >= nbin)
{
realloc_bins(&bin, &nbin, i+10);
}
bin[i]++;
}
if (debug)
{
fprintf(debug, "TPI %7d %12.5e %12.5f %12.5f %12.5f\n",
(int)step, epot, x_tp[XX], x_tp[YY], x_tp[ZZ]);
}
if (dump_pdb && epot <= dump_ener)
{
sprintf(str, "t%g_step%d.pdb", t, (int)step);
sprintf(str2, "t: %f step %d ener: %f", t, (int)step, epot);
write_sto_conf_mtop(str, str2, top_global, state->x, state->v,
inputrec->ePBC, state->box);
}
step++;
if ((step/stepblocksize) % cr->nnodes != cr->nodeid)
{
/* Skip all steps assigned to the other MPI ranks */
step += (cr->nnodes - 1)*stepblocksize;
}
}
if (PAR(cr))
{
/* When running in parallel sum the energies over the processes */
gmx_sumd(1, &sum_embU, cr);
gmx_sumd(nener, sum_UgembU, cr);
}
frame++;
V_all += V;
VembU_all += V*sum_embU/nsteps;
if (fp_tpi)
{
if (bVerbose || frame%10 == 0 || frame < 10)
{
fprintf(stderr, "mu %10.3e <mu> %10.3e\n",
-log(sum_embU/nsteps)/beta, -log(VembU_all/V_all)/beta);
}
fprintf(fp_tpi, "%10.3f %12.5e %12.5e %12.5e %12.5e",
t,
VembU_all == 0 ? 20/beta : -log(VembU_all/V_all)/beta,
sum_embU == 0 ? 20/beta : -log(sum_embU/nsteps)/beta,
sum_embU/nsteps, V);
for (e = 0; e < nener; e++)
{
fprintf(fp_tpi, " %12.5e", sum_UgembU[e]/nsteps);
}
fprintf(fp_tpi, "\n");
fflush(fp_tpi);
}
bNotLastFrame = read_next_frame(oenv, status, &rerun_fr);
} /* End of the loop */
walltime_accounting_end(walltime_accounting);
close_trj(status);
if (fp_tpi != NULL)
{
gmx_fio_fclose(fp_tpi);
}
if (fplog != NULL)
{
fprintf(fplog, "\n");
fprintf(fplog, " <V> = %12.5e nm^3\n", V_all/frame);
fprintf(fplog, " <mu> = %12.5e kJ/mol\n", -log(VembU_all/V_all)/beta);
}
/* Write the Boltzmann factor histogram */
if (PAR(cr))
{
/* When running in parallel sum the bins over the processes */
i = nbin;
global_max(cr, &i);
realloc_bins(&bin, &nbin, i);
gmx_sumd(nbin, bin, cr);
}
if (MASTER(cr))
{
fp_tpi = xvgropen(opt2fn("-tpid", nfile, fnm),
"TPI energy distribution",
"\\betaU - log(V/<V>)", "count", oenv);
sprintf(str, "number \\betaU > %g: %9.3e", bU_bin_limit, bin[0]);
xvgr_subtitle(fp_tpi, str, oenv);
xvgr_legend(fp_tpi, 2, (const char **)tpid_leg, oenv);
for (i = nbin-1; i > 0; i--)
{
bUlogV = -i/invbinw + bU_logV_bin_limit - refvolshift + log(V_all/frame);
fprintf(fp_tpi, "%6.2f %10d %12.5e\n",
bUlogV,
(int)(bin[i]+0.5),
bin[i]*exp(-bUlogV)*V_all/VembU_all);
}
gmx_fio_fclose(fp_tpi);
}
sfree(bin);
sfree(sum_UgembU);
walltime_accounting_set_nsteps_done(walltime_accounting, frame*inputrec->nsteps);
return 0;
}
void
process_command(int descr, dbref player, char *command)
{
char *arg1;
char *arg2;
char *full_command, *commandline=command, *commandstuff;
char *p; /* utility */
char pbuf[BUFFER_LEN];
char xbuf[BUFFER_LEN];
char ybuf[BUFFER_LEN];
const char *path;
struct frame *tmpfr;
if (command == 0)
abort();
/* robustify player */
if (player < 0 || player >= db_top ||
(Typeof(player) != TYPE_PLAYER && Typeof(player) != TYPE_THING)) {
log_status("process_command: bad player %d\n", player);
return;
}
if ((tp_log_commands || (tp_log_guests && Guest(OWNER(player)))) &&
(!(FLAGS(player)&(INTERACTIVE | READMODE)))) {
log_command("%s%s%s%s(%d) in %s(%d):%s %s\n",
Mage(OWNER(player)) ? "WIZ: " : "",
(Typeof(player) != TYPE_PLAYER) ? NAME(player) : "",
(Typeof(player) != TYPE_PLAYER) ? " by " : "",
NAME(OWNER(player)), (int) player,
NAME(DBFETCH(player)->location),
(int) DBFETCH(player)->location,
(FLAGS(player) & INTERACTIVE) ?
" [interactive]" : " ", command);
}
if (FLAGS(player) & INTERACTIVE) {
interactive(descr, player, command);
return;
}
/* eat leading whitespace */
while (*command && isspace(*command))
command++;
commandstuff = command;
/* check for single-character commands */
if (*command == SAY_TOKEN || *command == '\'') {
sprintf(pbuf, "say %s", command + 1);
command = &pbuf[0];
} else if (*command == POSE_TOKEN || *command == ';') {
sprintf(pbuf, "pose %s", command + 1);
command = &pbuf[0];
} else if ((*command == '|' || (*commandstuff++ == '\\' && *commandstuff == '\\') ) && can_move(descr, player, "spoof", 0)) {
if(*command = '\\')
sprintf(pbuf, "spoof %s", command + 2);
else
sprintf(pbuf, "spoof %s", command + 1);
command = &pbuf[0];
}
/* if player is a wizard, and uses overide token to start line...*/
/* ... then do NOT run actions, but run the command they specify. */
if (!strcmp(command, WHO_COMMAND)) {
char xxbuf[BUFFER_LEN];
strcpy(xxbuf, "@");
strcat(xxbuf, WHO_COMMAND);
strcat(xxbuf, " ");
strcat(xxbuf, command + sizeof(WHO_COMMAND) - 1);
if (can_move(descr, player, xxbuf, 5)) {
do_move(descr, player, xxbuf, 5);
} else {
pdump_who_users(descr, command + sizeof(WHO_COMMAND) - 1);
}
return;
}
if (!( *command == OVERIDE_TOKEN && TMage(player) )) {
if( can_move(descr, player, command, 0) ) {
do_move(descr, player, command, 0); /* command is exact match for exit */
*match_args = 0;
*match_cmdname = 0;
return;
}
}
if (*command == OVERIDE_TOKEN && TMage(player))
command++;
full_command = strcpy(xbuf, command);
for (; *full_command && !isspace(*full_command); full_command++);
if (*full_command)
full_command++;
/* find arg1 -- move over command word */
command = strcpy(ybuf, command);
for (arg1 = command; *arg1 && !isspace(*arg1); arg1++);
/* truncate command */
if (*arg1)
*arg1++ = '\0';
/* remember command for programs */
strcpy(match_cmdname, command);
/* move over spaces */
while (*arg1 && isspace(*arg1))
arg1++;
/* find end of arg1, start of arg2 */
for (arg2 = arg1; *arg2 && *arg2 != ARG_DELIMITER; arg2++);
/* truncate arg1 */
for (p = arg2 - 1; p >= arg1 && isspace(*p); p--)
*p = '\0';
/* go past delimiter if present */
if (*arg2)
*arg2++ = '\0';
while (*arg2 && isspace(*arg2))
arg2++;
strcpy(match_cmdname, command);
strcpy(match_args, full_command);
switch (command[0]) {
case '@':
switch (command[1]) {
case 'a':
case 'A':
/* @action, @attach */
switch (command[2]) {
case 'c':
case 'C':
Matched("@action");
do_action(descr, player, arg1, arg2);
break;
case 'r':
case 'R':
if (string_compare(command, "@armageddon"))
goto bad;
do_armageddon(player, full_command);
break;
case 't':
case 'T':
Matched("@attach");
do_attach(descr, player, arg1, arg2);
break;
case 'n':
case 'N':
Matched("@ansidescribe");
do_ansidescribe(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'b':
case 'B':
Matched("@boot");
do_boot(player, arg1);
break;
case 'c':
case 'C':
/* chown, contents, create */
switch (command[2]) {
case 'h':
case 'H':
switch (command[3]) {
case 'l':
case 'L':
Matched("@chlock");
do_chlock(descr, player, arg1, arg2);
break;
case 'o':
case 'O':
Matched("@chown");
do_chown(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'o':
case 'O':
switch (command[4]) {
case 'l':
case 'L':
Matched("@conlock");
do_conlock(descr, player, arg1, arg2);
break;
case 't':
case 'T':
Matched("@contents");
do_contents(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'r':
case 'R':
if (string_compare(command, "@credits")) {
Matched("@create");
do_create(player, arg1, arg2);
} else {
do_credits(player);
}
break;
default:
goto bad;
}
break;
case 'd':
case 'D':
/* describe, dequeue, dig, or dump */
switch (command[2]) {
case 'b':
case 'B':
Matched("@dbginfo");
do_serverdebug(descr, player, arg1, arg2);
break;
case 'e':
case 'E':
#ifdef DELTADUMPS
if(command[3] == 'l' || command[3] == 'L') {
Matched("@delta");
do_delta(player);
} else
#endif
{
if( (command[3] == 's' || command[3] == 'S') &&
(command[4] == 't' || command[4] == 'T') ) {
Matched("@destroy");
do_recycle(descr, player, arg1);
} else {
Matched("@describe");
do_describe(descr, player, arg1, arg2);
}
}
break;
case 'i':
case 'I':
Matched("@dig");
do_dig(descr, player, arg1, arg2);
break;
#ifdef DELTADUMPS
case 'l':
case 'L':
Matched("@dlt");
do_delta(player);
break;
#endif
case 'o':
case 'O':
Matched("@doing");
if (!tp_who_doing) goto bad;
do_doing(descr, player, arg1, arg2);
break;
case 'r':
case 'R':
Matched("@drop");
do_drop_message(descr, player, arg1, arg2);
break;
case 'u':
case 'U':
Matched("@dump");
do_dump(player, full_command);
break;
default:
goto bad;
}
break;
case 'e':
case 'E':
switch (command[2]) {
case 'd':
case 'D':
Matched("@edit");
do_edit(descr, player, arg1);
break;
case 'n':
case 'N':
Matched("@entrances");
do_entrances(descr, player, arg1, arg2);
break;
case 'x':
case 'X':
Matched("@examine");
sane_dump_object(player, arg1);
break;
default:
goto bad;
}
break;
case 'f':
case 'F':
/* fail, find, force, or frob */
switch (command[2]) {
case 'a':
case 'A':
Matched("@fail");
do_fail(descr, player, arg1, arg2);
break;
case 'i':
case 'I':
if(command[3] == 'x' || command[3] == 'X') {
Matched("@fixwizbits");
do_fixw(player, full_command);
} else {
Matched("@find");
do_find(player, arg1, arg2);
}
break;
case 'l':
case 'L':
Matched("@flock");
do_flock(descr, player, arg1, arg2);
break;
case 'o':
case 'O':
Matched("@force");
do_force(descr, player, arg1, arg2);
break;
case 'r':
case 'R':
if (string_compare(command, "@frob"))
goto bad;
do_frob(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'h':
case 'H':
switch (command[2]) {
case 'T':
case 't':
Matched("@htmldescribe");
do_htmldescribe(descr, player, arg1, arg2);
break;
default:
Matched("@hopper");
do_hopper(player, arg1);
break;
}
break;
case 'i':
case 'I':
switch(command[2]) {
case 'h':
case 'H':
Matched("@ihtmldescribe");
do_ihtmldescribe(descr, player, arg1, arg2);
break;
case 'a':
case 'A':
Matched("@iansidescribe");
do_iansidescribe(descr, player, arg1, arg2);
break;
default:
Matched("@idescribe");
do_idescribe(descr, player, arg1, arg2);
break;
}
break;
case 'k':
case 'K':
Matched("@kill");
do_dequeue(descr, player, arg1);
break;
case 'l':
case 'L':
/* lock or link */
switch (command[2]) {
case 'i':
case 'I':
switch (command[3]) {
case 'n':
case 'N':
Matched("@link");
do_link(descr, player, arg1, arg2);
break;
case 's':
case 'S':
Matched("@list");
match_and_list(descr, player, arg1, arg2, 1);
break;
default:
goto bad;
}
break;
case 'o':
case 'O':
Matched("@lock");
do_lock(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'm':
case 'M':
switch (command[2]) {
case 'e':
case 'E':
Matched("@memory");
do_memory(player);
break;
case 'c':
case 'C':
switch (command[4]) {
case '2':
Matched("@mcp2muf");
match_and_list(descr, player, arg1, arg2, 0);
break;
default:
Matched("@mcp");
do_prog(descr, player, arg1, 1);
break;
}
default:
goto bad;
}
break;
case 'n':
case 'N':
/* @name or @newpassword */
switch (command[2]) {
case 'a':
case 'A':
Matched("@name");
do_name(descr, player, arg1, arg2);
break;
case 'e':
case 'E':
if (string_compare(command, "@newpassword"))
goto bad;
do_newpassword(player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'o':
case 'O':
switch (command[2]) {
case 'd':
case 'D':
Matched("@odrop");
do_odrop(descr, player, arg1, arg2);
break;
case 'e':
case 'E':
Matched("@oecho");
do_oecho(descr, player, arg1, arg2);
break;
case 'f':
case 'F':
Matched("@ofail");
do_ofail(descr, player, arg1, arg2);
break;
case 'p':
case 'P':
Matched("@open");
do_open(descr, player, arg1, arg2);
break;
case 's':
case 'S':
Matched("@osuccess");
do_osuccess(descr, player, arg1, arg2);
break;
case 'w':
case 'W':
Matched("@owned");
do_owned(player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'p':
case 'P':
switch (command[2]) {
case 'a':
case 'A':
Matched("@password");
do_password(player, arg1, arg2);
break;
case 'c':
case 'C':
Matched("@pcreate");
do_pcreate(player, arg1, arg2);
break;
case 'e':
case 'E':
Matched("@pecho");
do_pecho(descr, player, arg1, arg2);
break;
case 'r':
case 'R':
if (string_prefix("@program", command)) {
do_prog(descr, player, arg1, 0);
break;
} else if (string_prefix("@proginfo", command)) {
do_proginfo(player, arg1);
break;
} else {
Matched("@propset");
do_propset(descr, player, arg1, arg2);
break;
}
case 's':
case 'S':
Matched("@ps");
list_events(player);
break;
case 'u':
case 'U':
Matched("@purge");
do_purge(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'r':
case 'R':
switch (command[3]) {
case 'c':
case 'C':
Matched("@recycle");
do_recycle(descr, player, arg1);
break;
case 's':
case 'S':
if (!string_compare(command, "@restart")) {
do_restart(player, full_command);
} else if (!string_compare(command, "@restrict")) {
do_restrict(player, arg1);
} else {
goto bad;
}
break;
default:
goto bad;
}
break;
case 's':
case 'S':
/* set, shutdown, success */
switch (command[2]) {
case 'a':
case 'A':
if (!string_compare(command, "@sanity")) {
sanity(player);
} else if (!string_compare(command, "@sanchange")) {
sanechange(player, full_command);
} else if (!string_compare(command, "@sanfix")) {
sanfix(player);
} else {
goto bad;
}
break;
case 'e':
case 'E':
Matched("@set");
do_set(descr, player, arg1, arg2);
break;
case 'h':
case 'H':
if (!string_compare(command, "@shout")) {
do_wall(player, full_command);
break;
}
if (string_compare(command, "@shutdown"))
goto bad;
do_shutdown(player, arg1);
break;
case 't':
case 'T':
Matched("@stats");
do_stats(player, arg1);
break;
case 'u':
case 'U':
Matched("@success");
do_success(descr, player, arg1, arg2);
break;
case 'w':
case 'W':
Matched("@sweep");
do_sweep(descr, player, arg1);
break;
default:
goto bad;
}
break;
case 't':
case 'T':
switch (command[2]) {
case 'e':
case 'E':
Matched("@teleport");
do_teleport(descr, player, arg1, arg2);
break;
case 'o':
case 'O':
if (string_compare(command, "@toad"))
goto bad;
do_frob(descr, player, arg1, arg2);
break;
case 'r':
case 'R':
Matched("@trace");
do_trace(descr, player, arg1, atoi(arg2));
break;
case 'u':
case 'U':
Matched("@tune");
do_tune(player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'u':
case 'U':
switch (command[2]) {
case 'N':
case 'n':
if (string_prefix(command, "@unlink")) {
do_unlink(descr, player, arg1);
} else if (string_prefix(command, "@unlock")) {
do_unlock(descr, player, arg1);
} else if (string_prefix(command, "@uncompile")) {
do_uncompile(player);
} else {
goto bad;
}
break;
#ifndef NO_USAGE_COMMAND
case 'S':
case 's':
Matched("@usage");
do_usage(player);
break;
#endif
default:
goto bad;
break;
}
break;
case 'v':
case 'V':
Matched("@version");
anotify_nolisten2(player, CRIMSON "ProtoMUCK " PROTOBASE PURPLE " (" RED VERSION WHITE " -- " AQUA NEONVER PURPLE ")" );
break;
case 'w':
case 'W':
if (string_compare(command, "@wall"))
goto bad;
do_wall(player, full_command);
break;
default:
goto bad;
}
break;
case '&':
do_mush_set(descr, player, arg1, arg2, command);
break;
case 'd':
case 'D':
switch (command[1]) {
case 'b':
case 'B':
Matched("dboot");
do_dboot(player, arg1);
break;
case 'i':
case 'I':
Matched("dinfo");
do_dinfo(player, arg1);
break;
case 'r':
case 'R':
Matched("drop");
do_drop(descr, player, arg1, arg2);
break;
case 'w':
case 'W':
Matched("dwall");
do_dwall(player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'e':
case 'E':
switch (command[1]) {
case 'm':
case 'M':
Matched("emote");
do_pose(descr, player, full_command);
break;
case 'x':
case 'X':
case '\0':
Matched("examine");
do_examine(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'g':
case 'G':
/* get, give, go, or gripe */
switch (command[1]) {
case 'e':
case 'E':
Matched("get");
do_get(descr, player, arg1, arg2);
break;
case 'i':
case 'I':
Matched("give");
do_give(descr, player, arg1, atoi(arg2));
break;
case 'o':
case 'O':
Matched("goto");
do_move(descr, player, arg1, 0);
break;
case 'r':
case 'R':
if(command[2]=='i' || command[2]=='I') {
if (string_compare(command, "gripe"))
goto bad;
do_gripe(player, full_command);
break;
}
default:
goto bad;
}
break;
case 'h':
case 'H':
switch (command[1]) {
case 'a':
case 'A':
Matched("hand");
do_drop(descr, player, arg1, arg2);
break;
case 'e':
case 'E':
Matched("help");
do_help(player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'i':
case 'I':
if (string_compare(command, "info")) {
Matched("inventory");
do_inventory(player);
} else {
do_info(player, arg1, arg2);
}
break;
case 'l':
case 'L':
if (string_prefix("look", command)) {
do_look_at(descr, player, arg1, arg2);
break;
} else {
Matched("leave");
do_leave(descr, player);
break;
}
case 'm':
case 'M':
if (string_prefix(command, "move")) {
do_move(descr, player, arg1, 0);
break;
} else if (!string_compare(command, "motd")) {
do_motd(player, full_command);
break;
} else if (!string_compare(command, "mpi")) {
do_mpihelp(player, arg1, arg2);
break;
} else {
if (string_compare(command, "man"))
goto bad;
do_man(player, arg1, arg2);
}
break;
case 'n':
case 'N':
/* news */
Matched("news");
do_news(player, arg1, arg2);
break;
case 'p':
case 'P':
switch (command[1]) {
case 'a':
case 'A':
case '\0':
Matched("page");
do_page(descr, player, arg1, arg2);
break;
case 'o':
case 'O':
Matched("pose");
do_pose(descr, player, full_command);
break;
case 'u':
case 'U':
Matched("put");
do_drop(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'r':
case 'R':
switch (command[1]) {
case 'e':
case 'E':
if(command[2] == 'q' || command[2] == 'Q'){
Matched("request");
request(player, NULL, commandline);
} else {
Matched("read"); /* undocumented alias for look */
do_look_at(descr, player, arg1, arg2);
}
break;
default:
goto bad;
}
break;
case 's':
case 'S':
/* say, "score" */
switch (command[1]) {
case 'a':
case 'A':
Matched("say");
do_say(descr, player, full_command);
break;
case 'c':
case 'C':
case '\0':
if( command[1] &&
(command[2] == 'a' || command[2] == 'A' )) {
Matched("scan");
do_sweep(descr, player, arg1);
} else {
Matched("score");
do_score(player, 1);
}
break;
default:
goto bad;
}
break;
case 't':
case 'T':
switch (command[1]) {
case 'a':
case 'A':
Matched("take");
do_get(descr, player, arg1, arg2);
break;
case 'h':
case 'H':
Matched("throw");
do_drop(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
case 'w':
case 'W':
switch (command[1]){
case 'c':
case 'C':
Matched("wc");
do_wizchat(player, full_command);
break;
case 'i':
case 'I':
Matched("wizchat");
do_wizchat(player, arg1);
break;
case 'h':
case 'H':
case '\0':
Matched("whisper");
do_whisper(descr, player, arg1, arg2);
break;
default:
goto bad;
}
break;
default:
bad:
if ( Typeof(tp_huh_command) == TYPE_PROGRAM && !(player == -1)) {
tmpfr = interp(descr, player, DBFETCH(player)->location, tp_huh_command, (dbref)-4, FOREGROUND, STD_REGUID);
if (!tmpfr)
goto bad2;
(void) interp_loop(player, tp_huh_command, tmpfr, 0);
} else {
bad2:
anotify_fmt(player, CINFO "%s",tp_huh_mesg);
if (tp_log_failed_commands && !controls(player, DBFETCH(player)->location)) {
log_status("HUH from %s(%d) in %s(%d)[%s]: %s %s\n", NAME(player), player,
NAME(DBFETCH(player)->location),
DBFETCH(player)->location,
NAME(OWNER(DBFETCH(player)->location)), command,
full_command);
}
}
break;
}
}
