void chk_trj(const output_env_t oenv, const char *fn, const char *tpr, real tol)
{
t_trxframe fr;
t_count count;
t_fr_time first, last;
int j = -1, new_natoms, natoms;
real rdum, tt, old_t1, old_t2, prec;
gmx_bool bShowTimestep = TRUE, bOK, newline = FALSE;
t_trxstatus *status;
gmx_mtop_t mtop;
gmx_localtop_t *top = NULL;
t_state state;
t_inputrec ir;
if (tpr)
{
read_tpx_state(tpr, &ir, &state, NULL, &mtop);
top = gmx_mtop_generate_local_top(&mtop, &ir);
}
new_natoms = -1;
natoms = -1;
printf("Checking file %s\n", fn);
j = 0;
old_t2 = -2.0;
old_t1 = -1.0;
count.bStep = 0;
count.bTime = 0;
count.bLambda = 0;
count.bX = 0;
count.bV = 0;
count.bF = 0;
count.bBox = 0;
first.bStep = 0;
first.bTime = 0;
first.bLambda = 0;
first.bX = 0;
first.bV = 0;
first.bF = 0;
first.bBox = 0;
last.bStep = 0;
last.bTime = 0;
last.bLambda = 0;
last.bX = 0;
last.bV = 0;
last.bF = 0;
last.bBox = 0;
read_first_frame(oenv, &status, fn, &fr, TRX_READ_X | TRX_READ_V | TRX_READ_F);
do
{
if (j == 0)
{
fprintf(stderr, "\n# Atoms %d\n", fr.natoms);
if (fr.bPrec)
{
fprintf(stderr, "Precision %g (nm)\n", 1/fr.prec);
}
}
newline = TRUE;
if ((natoms > 0) && (new_natoms != natoms))
{
fprintf(stderr, "\nNumber of atoms at t=%g don't match (%d, %d)\n",
old_t1, natoms, new_natoms);
newline = FALSE;
}
if (j >= 2)
{
if (fabs((fr.time-old_t1)-(old_t1-old_t2)) >
0.1*(fabs(fr.time-old_t1)+fabs(old_t1-old_t2)) )
{
bShowTimestep = FALSE;
fprintf(stderr, "%sTimesteps at t=%g don't match (%g, %g)\n",
newline ? "\n" : "", old_t1, old_t1-old_t2, fr.time-old_t1);
}
}
natoms = new_natoms;
if (tpr)
{
chk_bonds(&top->idef, ir.ePBC, fr.x, fr.box, tol);
}
if (fr.bX)
{
chk_coords(j, natoms, fr.x, fr.box, 1e5, tol);
}
if (fr.bV)
{
chk_vels(j, natoms, fr.v);
}
if (fr.bF)
{
chk_forces(j, natoms, fr.f);
}
old_t2 = old_t1;
old_t1 = fr.time;
j++;
new_natoms = fr.natoms;
#define INC(s, n, f, l, item) if (s.item != 0) { if (n.item == 0) { first.item = fr.time; } last.item = fr.time; n.item++; \
}
INC(fr, count, first, last, bStep);
INC(fr, count, first, last, bTime);
INC(fr, count, first, last, bLambda);
INC(fr, count, first, last, bX);
INC(fr, count, first, last, bV);
INC(fr, count, first, last, bF);
INC(fr, count, first, last, bBox);
#undef INC
}
while (read_next_frame(oenv, status, &fr));
fprintf(stderr, "\n");
close_trj(status);
fprintf(stderr, "\nItem #frames");
if (bShowTimestep)
{
fprintf(stderr, " Timestep (ps)");
}
fprintf(stderr, "\n");
#define PRINTITEM(label, item) fprintf(stderr, "%-10s %6d", label, count.item); if ((bShowTimestep) && (count.item > 1)) {fprintf(stderr, " %g\n", (last.item-first.item)/(count.item-1)); }else fprintf(stderr, "\n")
PRINTITEM ( "Step", bStep );
PRINTITEM ( "Time", bTime );
PRINTITEM ( "Lambda", bLambda );
PRINTITEM ( "Coords", bX );
PRINTITEM ( "Velocities", bV );
PRINTITEM ( "Forces", bF );
PRINTITEM ( "Box", bBox );
}
int countthings(void)
{
/* Counts the things in a level's THINGS data. Returns zero if error. */
long nc[6] = {0, 0, 0, 0, 0, 0}; /* Number of things counted
* at each skill level */
long wdam[6] = {0, 0, 0, 0, 0, 0}; /* Total weapon damage at
* each skill level */
float dratio[6] = {0, 0, 0, 0, 0, 0}; /* Damage ratio for
* difficulty */
int n, i;
/** Player starts **/
printf(" Play modes:\n");
if (countth(1, -1)) /* Find player 1 start */
printf("\tSingle player\n");
n = 0;
for (i = 1; i <= 4; i++) { /* Find player 1-4 starts */
if (countth(i, -1))
n++;
}
if (n > 1)
printf("\tCooperative (%d player)\n", n);
n = countth(11, -1); /* Find deathmatch starts */
if (n)
printf("\tDeathmatch (%d starts)\n", n);
/** Monsters **/
printf(" Bosses:\n");
prtth(3003, "Baron");
prtth(16, "Cyberdemon");
prtth(7, "Spiderdemon");
prtth(88, "Final Boss");
printf(" Monsters:\n");
prtth(3004, "Trooper");
prtth(9, "Sergeant");
prtth(65, "Chaingun guy");
prtth(84, "SS Nazi");
prtth(3001, "Imp");
prtth(3002, "Demon");
prtth(58, "Spectre");
prtth(3006, "Lost soul");
prtth(3005, "Cacodemon");
prtth(64, "Archvile");
prtth(66, "Revenant");
prtth(67, "Mancubis");
prtth(68, "Arachnotron");
prtth(69, "Mini Baron");
prtth(71, "Pain Elemental");
printf(" Weapons:\n");
prtth(2001, "Shotgun");
prtth(82, "Super shotgun");
prtth(2002, "Chaingun");
prtth(2003, "Rocket launcher");
prtth(2004, "Plasma gun");
prtth(2006, "BFG-9000");
prtth(2005, "Chainsaw");
printf(" Equipment:\n");
prtth(8, "Backpack");
prtth(2022, "Invulnerability");
prtth(2023, "Berserk");
prtth(2024, "Invisibility");
prtth(2025, "Radiation suit");
prtth(2026, "Computer map");
prtth(2045, "Lite amp goggles");
printf(" Expendibles:\n");
RESET(nc);
addcountweighted(2002, nc, 20); /* Chainguns */
addcountweighted(2007, nc, 10); /* Clips */
addcountweighted(2048, nc, 50); /* Boxes of ammo */
addcountweighted(8, nc, 10); /* Backpacks */
addcountweighted(3004, nc, 5); /* Troopers */
PRINTITEM2("Bullets", nc);
for (i = 0; i < 6; i++)
wdam[i] += nc[i]; /* Accumulate damage */
RESET(nc);
addcountweighted(2001, nc, 8); /* Shotguns */
addcountweighted(82, nc, 16); /* Super shotguns */
addcountweighted(2008, nc, 4); /* Shells */
addcountweighted(2049, nc, 20); /* Boxes of shells */
addcountweighted(8, nc, 4); /* Backpacks */
addcountweighted(9, nc, 4); /* Sergeants */
PRINTITEM2("Shells", nc);
for (i = 0; i < 6; i++)
wdam[i] += 7 * nc[i]; /* Accumulate damage */
RESET(nc);
addcountweighted(2003, nc, 2); /* Rocket launchers */
addcountweighted(2010, nc, 1); /* Rockets */
addcountweighted(2046, nc, 5); /* Boxes of rockets */
addcountweighted(8, nc, 1); /* Backpacks */
PRINTITEM2("Rockets", nc);
for (i = 0; i < 6; i++)
wdam[i] += 20 * nc[i]; /* Accumulate damage */
RESET(nc);
addcountweighted(2004, nc, 40); /* Plasma guns */
addcountweighted(2006, nc, 40); /* BFG-9000's */
addcountweighted(17, nc, 20); /* Cell packs */
addcountweighted(2047, nc, 100); /* Cell charges */
addcountweighted(8, nc, 20); /* Backpacks */
PRINTITEM2("Cells", nc);
for (i = 0; i < 6; i++)
wdam[i] += 2 * nc[i]; /* Accumulate damage */
RESET(nc);
addcountweighted(2018, nc, 100); /* Armor */
addcountweighted(2019, nc, 200); /* Super armor */
addcountweighted(83, nc, 200); /* Megasphere */
addcountweighted(2015, nc, 1); /* Armor bonuses */
PRINTITEM2("Armor points", nc);
RESET(nc);
addcountweighted(2011, nc, 10); /* Stimpacks */
addcountweighted(2012, nc, 25); /* Medikits */
addcountweighted(2013, nc, 100); /* Soul spheres */
addcountweighted(83, nc, 200); /* Megasphere */
addcountweighted(2023, nc, 100); /* Berserk strength */
addcountweighted(2014, nc, 1); /* Health bonuses */
PRINTITEM2("Health points", nc);
prtth(2035, "Barrels");
/* Calculate difficulty based on damage we can do vs. damage required to
* kill all the monsters */
printf(" Difficulty:\n");
RESET(nc);
addcountweighted(3004, nc, 2); /* Troopers */
addcountweighted(9, nc, 3); /* Sergeants */
addcountweighted(3001, nc, 6); /* Imps */
addcountweighted(3002, nc, 15); /* Demons */
addcountweighted(58, nc, 15); /* Spectres */
addcountweighted(3006, nc, 10); /* Lost souls */
addcountweighted(3005, nc, 40); /* Cacodemons */
addcountweighted(3003, nc, 100); /* Barons */
addcountweighted(16, nc, 400); /* Cyberdemons */
addcountweighted(7, nc, 300); /* Spiderdemons */
addcountweighted(64, nc, 70); /* Archviles */
addcountweighted(65, nc, 7); /* Chaingun guys */
addcountweighted(66, nc, 30); /* Revenants */
addcountweighted(67, nc, 40); /* Mancubi */
addcountweighted(68, nc, 50); /* Arachnotrae */
addcountweighted(69, nc, 50); /* Mini Barons */
addcountweighted(71, nc, 40); /* Pain Elementals */
addcountweighted(84, nc, 5); /* SS Nazis */
addcountweighted(88, nc, 25); /* Final bosses */
PRINTITEM("Total monster hp", nc);
PRINTITEM2("Max ammo damage", wdam);
for (i = 0; i < 6; i++) {
if (!wdam[i])
continue;
dratio[i] = (wdam[i] ? (float) nc[i] / (float) wdam[i] : 0); /* Prevent
* divide-by-zero */
}
printf("\t%-20s %0.3f %0.3f %0.3f %0.3f", "RATIO", 0.5 * dratio[0], dratio[0], dratio[1], dratio[2]);
printf(" | %0.3f %0.3f %0.3f %0.3f\n", 0.5 * dratio[3], dratio[3], dratio[4], dratio[5]);
/*** Return success ***/
return 1;
}
