void Extract_Coord_E(char szName[], int Idx_Phi, int Idx_Part)
{
FILE *fIn, *fOut;
int i, nAtom, ToRead=1, ReadItem, n_Rec=0;
char szOutput[256], szErrorMsg[256], szLine[256], *ReadLine, szTag[256], ErrorMsg[256];
double E_QM, E_MM, Phi, Phi_Set, x_Save[MAX_ATOM], y_Save[MAX_ATOM], z_Save[MAX_ATOM];
nAtom = Mol.nAtom;
memcpy(x_Save, Mol.x, sizeof(double)*nAtom);
memcpy(y_Save, Mol.y, sizeof(double)*nAtom);
memcpy(z_Save, Mol.z, sizeof(double)*nAtom);
sprintf(szOutput, "tor-1D-idx-%d.dat", Idx_Phi+1);
fOut = fopen(szOutput, "a+");
fseek(fOut, 0, SEEK_END);
fIn = fopen(szName, "r");
if(fIn == NULL) {
sprintf(szErrorMsg, "Fail to open %s\nQuit\n", szName);
Quit_With_Error_Msg(szErrorMsg);
}
while(ToRead) {
if(feof(fIn)) {
break;
}
ReadLine = fgets(szLine, 256, fIn);
if(ReadLine == NULL) {
break;
}
else {
// if(FindString(szLine, " Center Atomic Atomic")>=0) { // to extract the coordinate
// Skip_N_Line(fIn, szName, 2);
// if(FindString(szLine, " Input orientation:")>=0) { // to extract the coordinate
if(FindString(szLine, " orientation:")>=0) { // to extract the coordinate
Skip_N_Line(fIn, szName, 4);
for(i=0; i<nAtom; i++) {
ReadLine = fgets(szLine, 256, fIn);
if(ReadLine == NULL) {
break;
}
ReadItem = sscanf(szLine+31, "%lf %lf %lf", &(Mol.x[i]), &(Mol.y[i]), &(Mol.z[i]));
if(ReadItem != 3) {
ToRead = 0;
break;
}
}
}
else if( (FindString(szLine, " SCF Done: ")>=0) && (QM_Level == QM_LEVEL_HF) ) { // HF
E_QM = Get_Energy(szLine);
}
else if( (FindString(szLine, "EUMP2 =")>=0) && (QM_Level == QM_LEVEL_MP2) ) {
E_QM = Get_Energy(szLine+27);
}
else if(FindString(szLine, " Optimization completed")>=0) {
sprintf(szTag, " D(%d,%d,%d,%d)", DihList[Idx_Phi][0]+1, DihList[Idx_Phi][1]+1, DihList[Idx_Phi][2]+1, DihList[Idx_Phi][3]+1);
To_Find_Tag(fIn, szName, szTag, szLine);
ReadItem = sscanf(szLine+28, "%lf", &Phi_Set); // previous, modredundant
if(ReadItem != 1) {
sprintf(ErrorMsg, "Error in extracting the dihedral.\n%s\nQuit\n", szLine);
Quit_With_Error_Msg(ErrorMsg);
}
Phi = Mol.QueryDihedral(IdxDihSelect[Idx_Phi]);
E_MM = Mol.Cal_E(0);
fprintf(fOut, "E_Scan %.13E %.13E Phi %.1lf\n", E_QM, E_MM, Phi);
fprintf(fOut, "Coordinate\n");
for(i=0; i<nAtom; i++) {
fprintf(fOut, "%12.6lf %12.6lf %12.6lf\n", Mol.x[i], Mol.y[i], Mol.z[i]);
}
n_Rec++;
}
}
}
fclose(fOut);
fclose(fIn);
memcpy(Mol.x, x_Save, sizeof(double)*nAtom);
memcpy(Mol.y, y_Save, sizeof(double)*nAtom);
memcpy(Mol.z, z_Save, sizeof(double)*nAtom);
}
void AI_Control( WorldStuff *world_stuff, int vehicle_number )
{
Player *player;
team_type team, enemy_team;
short frames_till_traitor_deactivate;
short frames_till_unscramble;
short scramble_life;
short traitor_life;
/* Alias pointer to this player */
player = world_stuff->player_array;
frames_till_traitor_deactivate = player[vehicle_number].tank.frames_till_traitor_deactivate;
frames_till_unscramble = player[vehicle_number].tank.frames_till_unscramble;
scramble_life = player[vehicle_number].tank.scramble_life;
traitor_life = player[vehicle_number].tank.traitor_life;
if( player[vehicle_number].tank.team == RED_TEAM )
{
team = RED_TEAM;
enemy_team = BLUE_TEAM;
}
else
{
team = BLUE_TEAM;
enemy_team = RED_TEAM;
}
if( player[vehicle_number].character.skill_level > 2 && player[vehicle_number].controller != USER_CONTROL )
{
if( player[vehicle_number].tank.traitor_active )
if( frames_till_traitor_deactivate < (traitor_life - 40) )
player[vehicle_number].tank.traitor_active = FALSE;
/*
if( player[vehicle_number].tank.controls_scrambled )
if( frames_till_unscramble < (scramble_life - 40) )
player[vehicle_number].tank.controls_scrambled = FALSE;
*/
}
if( player[vehicle_number].tank.traitor_active )
{
player[vehicle_number].tank.team = enemy_team;
player[vehicle_number].team = enemy_team;
}
/* Clear this players input table */
Clear_Input_Table( player[vehicle_number].table );
/* Fill up this players events data structure */
Update_Player_Events( world_stuff, vehicle_number );
/* Figure out what state we are in now */
world_stuff->player_array[vehicle_number].character.state = Find_State( world_stuff, vehicle_number );
if( player[vehicle_number].tank.traitor_active )
{
world_stuff->player_array[vehicle_number].character.state = ATTACK;
}
/* Based on the state of the ai call appropriate control function */
switch( world_stuff->player_array[vehicle_number].character.state )
{
case ATTACK:
Attack( world_stuff, vehicle_number );
break;
case GET_ENERGY:
Get_Energy( world_stuff, vehicle_number );
break;
case PANIC:
Panic( world_stuff, vehicle_number );
break;
case BEZERK:
Bezerk( world_stuff, vehicle_number );
break;
case HIDE:
Hide( world_stuff, vehicle_number );
break;
case GROUPUP:
Group( world_stuff, vehicle_number );
break;
case GET_PYLONS:
Get_Pylons( world_stuff, vehicle_number );
break;
case PROTECT:
Protect( world_stuff, vehicle_number );
break;
case KILL_RADAR_BASE:
Kill_Radar_Base( world_stuff, vehicle_number );
break;
case PROTECT_RADAR_BASE:
Protect_Radar_Base( world_stuff, vehicle_number );
break;
case EVADE:
Evade( world_stuff, vehicle_number );
default:
break;
} /* End case */
if( player[vehicle_number].tank.traitor_active )
{
player[vehicle_number].tank.team = team;
player[vehicle_number].team = team;
}
if( player[vehicle_number].tank.vtype == Dragonfly )
Cloak_Override( world_stuff, vehicle_number );
if( player[vehicle_number].tank.vtype == Roach )
Mines( world_stuff, vehicle_number );
if( player_events[vehicle_number].memory.stuck )
Stuck_Override( world_stuff, vehicle_number );
} /* End of AI_Control */
