static void SortTemp(int low, int high) {
TempStruct tmpMid, tmpSwap;
int lowMid, highMid, nLen;
nLen = high - low + 1;
if (nLen > TEMP_BUFFER_SIZE) {
lowMid = low;
highMid = high;
tmpMid = GetTemp((low + high) / 2);
while (lowMid <= highMid) {
while (lowMid < high && GetTemp(lowMid) < tmpMid) {
lowMid ++;
}
while (low < highMid && tmpMid < GetTemp(highMid)) {
highMid --;
}
if (lowMid <= highMid) {
tmpSwap = GetTemp(lowMid);
SetTemp(lowMid, GetTemp(highMid));
SetTemp(highMid, tmpSwap);
lowMid ++;
highMid --;
}
}
if (low < highMid) {
SortTemp(low, highMid);
}
if (lowMid < high) {
SortTemp(lowMid, high);
}
} else {
ReadTemp(low, MakeBook2.TempBuffer, nLen);
if (nLen > 1) {
SortMem(0, nLen - 1);
}
WriteTemp(low, MakeBook2.TempBuffer, nLen);
}
}
void DSKY::ProcessChannel11Bit(int bit, bool val)
{
//
// Channel 011 has bits to control the lights on the DSKY.
//
switch (bit) {
// 2 - Comp Acty
case 2:
SetCompActy(val);
break;
// 3 - Uplink
case 3:
SetUplink(val);
break;
// 4 - Temp caution
case 4:
SetTemp(val);
break;
// 5 - Kbd Rel
case 5:
SetKbRel(val);
break;
// 6 - flash verb and noun
case 6:
if (val) {
SetVerbDisplayFlashing();
SetNounDisplayFlashing();
}
else {
ClearVerbDisplayFlashing();
ClearNounDisplayFlashing();
}
break;
// 7 - Opr Err
case 7:
SetOprErr(val);
break;
}
}
void DSKY::ProcessChannel11(ChannelValue val)
{
ChannelValue val11;
val11 = val;
SetCompActy(val11[LightComputerActivity]);
SetUplink(val11[LightUplink]);
SetTemp(val11[LightTempCaution]);
SetKbRel(val11[LightKbRel]);
SetOprErr(val11[LightOprErr]);
if (val11[FlashVerbNoun]) {
SetVerbDisplayFlashing();
SetNounDisplayFlashing();
}
else {
ClearVerbDisplayFlashing();
ClearNounDisplayFlashing();
}
}
inline void AddTemp(const TempStruct &tmp) {
SetTemp(MakeBook2.nTempLen, tmp);
MakeBook2.nTempLen ++;
}
int Forces::ReadConfDinamica(char *InFile){
SysType = 0;
SysShape = 0;
CalcMode = 0;
FILE *FileToRead = fopen(InFile,"r");
if(FileToRead == NULL){
printf("The conf file %s is missing\n",InFile);
return 1;
}
double buff[12];
char SysInit[20];
char *Line = (char *)malloc(256*sizeof(char));
//fgets(Line,256,FileToRead);
int NNano = 0;
for(int k=0;!(fgets(Line,256,FileToRead)==NULL);k++){
if(strstr(Line, "Rigid") == Line) NNano++;
}
SetNNano(NNano);
NNano = 0;
rewind(FileToRead);
for(int k=0;!(fgets(Line,256,FileToRead)==NULL);k++){
//printf("%s",Line);
if(1 == sscanf(Line,"NEdge %lf",buff) )
NEdge = (int)*buff;
else if(1 == sscanf(Line,"SysShape %s",SysInit) ){
if(!strcmp(SysInit,"leaves") )
VAR_ADD_TYPE(SysShape,SYS_LEAVES);
else if(!strcmp(SysInit,"pore") )
VAR_ADD_TYPE(SysShape,SYS_PORE);
else if(!strcmp(SysInit,"1d") )
VAR_ADD_TYPE(SysShape,SYS_1D);
else if(!strcmp(SysInit,"2d") )
VAR_ADD_TYPE(SysShape,SYS_2D);
else if(!strcmp(SysInit,"3d") )
VAR_ADD_TYPE(SysShape,SYS_3D);
else if(!strcmp(SysInit,"rod") )
VAR_ADD_TYPE(SysShape,SYS_ROD);
else if(!strcmp(SysInit,"trial") )
VAR_ADD_TYPE(SysShape,SYS_TRIAL);
else if(!strcmp(SysInit,"rigid") )
VAR_ADD_TYPE(SysShape,SYS_RIGID);
else if(!strcmp(SysInit,"stalk") )
VAR_ADD_TYPE(SysShape,SYS_STALK);
else if(!strcmp(SysInit,"md") )
VAR_ADD_TYPE(SysShape,SYS_MD);
else if(!strcmp(SysInit,"mc") )
VAR_ADD_TYPE(SysShape,SYS_MC);
else if(!strcmp(SysInit,"electro") ){
VAR_ADD_TYPE(SysShape,SYS_ELECTRO);
//VAR_ADD_TYPE(SysShape,SYS_MC);
}
else{
printf("system type not recognized\n");
exit(1);
}
}
else if(1 == sscanf(Line,"CalcMode %s",SysInit) ){
if(!strcmp(SysInit,"NVT") )
VAR_ADD_TYPE(CalcMode,CALC_NVT);
else if(!strcmp(SysInit,"NcVT") )
VAR_ADD_TYPE(CalcMode,CALC_NcVT);
else if(!strcmp(SysInit,"mcVT") )
VAR_ADD_TYPE(CalcMode,CALC_mcVT);
else if(!strcmp(SysInit,"mVT") )
VAR_ADD_TYPE(CalcMode,CALC_mVT);
else{
printf("calculation type not recognized\n");
exit(1);
}
}
else if(1 == sscanf(Line,"Thermostat %s",SysInit) ){
if(!strcmp(SysInit,"Langevin") )
ThermMode = THERM_LANG;
else if(!strcmp(SysInit,"Andersen") )
ThermMode = THERM_AND;
else if(!strcmp(SysInit,"Berendsen") )
ThermMode = THERM_BERE;
else if(!strcmp(SysInit,"no") )
ThermMode = THERM_NO;
else{
printf("thermostat not recognized\n");
exit(1);
}
}
else if(1 == sscanf(Line,"PotentialMode %s",SysInit) ){
if(!strcmp(SysInit,"Pair") )
VAR_ADD_TYPE(CalcMode,CALC_PAIR);
else if(!strcmp(SysInit,"DensFunc") )
VAR_ADD_TYPE(CalcMode,CALC_DENS);
else if(!strcmp(SysInit,"DensFuncCh") )
VAR_ADD_TYPE(CalcMode,CALC_DENS);
}
else if(1 == sscanf(Line,"Potential %s",SysInit) ){
if(!strcmp(SysInit,"LJ") )
VAR_ADD_TYPE(CalcMode,CALC_LJ);
else if(!strcmp(SysInit,"LJ39") )
VAR_ADD_TYPE(CalcMode,CALC_LJ39);
else if(!strcmp(SysInit,"Harmonic") )
VAR_ADD_TYPE(CalcMode,CALC_HARM);
else if(!strcmp(SysInit,"Step") )
VAR_ADD_TYPE(CalcMode,CALC_STEP);
else if(!strcmp(SysInit,"Electro") )
VAR_ADD_TYPE(CalcMode,CALC_ELECTRO);
else{
printf("interaction potential not recognized\n");
exit(1);
}
}
else if(1 == sscanf(Line,"IfInterp %lf",buff) )
IfInterp = (int)*buff;
else if(1 == sscanf(Line,"Lap %lf",buff) )
Kf.Lap = *buff;
else if(1 == sscanf(Line,"SLap %lf",buff) )
Kf.SLap = *buff;
else if(1 == sscanf(Line,"Ext %lf",buff) )
Kf.Ext = *buff;
else if(1 == sscanf(Line,"LJ %lf",buff) )
Kf.LJ = *buff;
else if(1 == sscanf(Line,"LJMin %lf",buff) )
Kf.LJMin = *buff;
else if(1 == sscanf(Line,"kSpr %lf",buff) )
SetkSpr(*buff);
else if(1 == sscanf(Line,"SprRest %lf",buff) )
SetSprRest(*buff);
else if(1 == sscanf(Line,"kBen %lf",buff) )
SetkBen(*buff);
else if(1 == sscanf(Line,"SimLimit %lf",buff) )
SimLimit = (int)*buff;
else if(1 == sscanf(Line,"CutOff %lf",buff) )
Kf.CutOff2 = SQR(*buff);
else if(1 == sscanf(Line,"Cont %lf",buff) )
Kf.Cont = *buff;
else if(1 == sscanf(Line,"NWrite %lf",buff) )
NWrite = (int)*buff;
else if(1 == sscanf(Line,"NBin %lf",buff) )
NBin = (int)*buff;
else if(1 == sscanf(Line,"NGrid %lf",buff) )
NGrid = (int)*buff;
else if(1 == sscanf(Line,"NUpdate %lf",buff) )
NUpdate = (int)*buff;
else if(strstr(Line, "Rigid") == Line){
NanoString(Line,NNano++);
}
#ifdef __glut_h__
else if(1 == sscanf(Line,"IfMovie %lf",buff) )
IfMovie = (int)*buff;
else if(1 == sscanf(Line,"IfLine %lf",buff) )
IfLine = (int)*buff;
else if(1 == sscanf(Line,"NSpline %lf",buff) )
NSpline = *buff;
else if(1 == sscanf(Line,"IfSphere %lf",buff) )
IfSphere = (int)*buff;
#endif
else if(3 == sscanf(Line,"Edge %lf %lf %lf",buff,buff+1,buff+2) ){
SetEdge(buff[0],0);
SetEdge(buff[1],1);
SetEdge(buff[2],2);
}
else if(3 == sscanf(Line,"El %lf %lf %lf",buff,buff+1,buff+2) ){
Kf.El[0] = *buff;
Kf.El[1] = *(buff+1);
Kf.El[2] = *(buff+2);
}
else if(3 == sscanf(Line,"Elong %lf %lf %lf",buff,buff+1,buff+2) ){
Kf.Elong[0] = *buff;
Kf.Elong[1] = *(buff+1);
Kf.Elong[2] = *(buff+2);
}
else if(6 == sscanf(Line,"Boundary %lf %lf %lf %lf %lf %lf",buff,buff+1,buff+2,buff+3,buff+4,buff+5)){
BoundCond[0] = (int)buff[0];
BoundCond[1] = (int)buff[1];
BoundCond[2] = (int)buff[2];
BoundCond[3] = (int)buff[3];
BoundCond[4] = (int)buff[4];
BoundCond[5] = (int)buff[5];
}
else if(3 == sscanf(Line,"Periodic %lf %lf %lf",buff,buff+1,buff+2)){
PeriodicImage[0] = (int)*buff;
PeriodicImage[1] = (int)*(buff+1);
PeriodicImage[2] = (int)*(buff+2);
}
else if(1 == sscanf(Line,"Deltat %lf",buff) )
Deltat = *buff;
else if(1 == sscanf(Line,"Temp %lf",buff) )
SetTemp(buff[0]);
else if(1 == sscanf(Line,"NChemPotId %lf",buff) )
NChemPotId = *buff;
else if(1 == sscanf(Line,"NTrialBias %lf",buff) ){
NTrialBias =(int) *buff;
}
else if(1 == sscanf(Line,"ChemPotEx %lf",buff) )
ChemPotEx = *buff;
else if(1 == sscanf(Line,"IfConfBias %lf",buff) ){
if((int)*buff == 1)
VAR_ADD_TYPE(CalcMode,CALC_CONF_BIAS);
}
else if(1 == sscanf(Line,"IfBilBias %lf",buff) ){
if((int)*buff == 1){
VAR_ADD_TYPE(CalcMode,CALC_BIL_BIAS);
StudySys();
}
}
else if(1 == sscanf(Line,"IfSphBias %lf",buff) ){
if((int)*buff == 1)
VAR_ADD_TYPE(CalcMode,CALC_SPH_BIAS);
}
else if(1 == sscanf(Line,"Viscosity %lf",buff) )
Viscosity = *buff;
else if(1 == sscanf(Line,"TNSlab %lf",buff) )
Tens.NSlab = (int)*buff;
else if(1 == sscanf(Line,"TNComp %lf",buff) )
Tens.NComp = (int)*buff;
else if(1 == sscanf(Line,"TCalcMode %s",SysInit) ){
if(!strcmp(SysInit,"2d") ){
VAR_ADD_TYPE(Tens.CalcMode,CALC_2d);
Tens.NDim = 2;
}
else if(!strcmp(SysInit,"3d") ){
VAR_ADD_TYPE(Tens.CalcMode,CALC_3d);
Tens.NDim = 3;
}
else{
printf("Pressure summation not recognized\n");
exit(1);
}
}
}
//for(int n=0;n<pNNano();n++) for(int d=0;d<3;d++) Nano[n].Pos[d] *= pEdge(d);
ChemPotId = log(NChemPotId/pVol());
printf("Sys] NEdge %d SysShape %d %s Interp %d \n",NEdge,SysShape,SysInit,IfInterp);
printf("Forces] Lap %lf SLap %lf Ext %lf LJ %lf Cont %lf El %lf %lf %lf Elong %lf %lf %lf\n",Kf.Lap,Kf.SLap,Kf.Ext,Kf.LJ,Kf.Cont,Kf.El[0],Kf.El[1],Kf.El[2],Kf.Elong[0],Kf.Elong[1],Kf.Elong[2]);
printf("External] Center %lf %lf %lf Rad %lf Hei %lf\n",Nano->Pos[0],Nano->Pos[1],Nano->Pos[2],Nano->Rad,Nano->Height);
fclose(FileToRead);
return 0;
}
