void PCB_CALCULATOR_FRAME::OnClosePcbCalc( wxCloseEvent& event )
{
if( m_RegulatorListChanged )
{
if( GetDataFilename().IsEmpty() )
{
int opt = wxMessageBox( _("Data modified, and no data filename to save modifications\n"\
"Do you want to exit and abandon your change?"),
_("Regulator list change"),
wxYES_NO | wxICON_QUESTION );
if( opt == wxNO )
return;
}
else
{
if( !WriteDataFile() )
{
wxString msg;
msg.Printf( _("Unable to write file<%s>\n"\
"Do you want to exit and abandon your change?"), GetDataFilename().c_str() );
int opt = wxMessageBox( msg, _("Write Data File Errror"),
wxYES_NO | wxICON_QUESTION );
if( opt == wxNO )
return;
}
}
}
Destroy();
}
void Pedigree::WriteDataFile(const char * output)
{
FILE * f = fopen(output, "wt");
if (f == NULL) error("Couldn't open data file %s", output);
WriteDataFile(f);
fclose(f);
}
int main(void){
int i=0;
person_t student[NUM_OF_PERSON];
printf("起動オプションを選択してください。\n1：ランダムデータファイルの生成\n2：データ読み込み・ソート\n3：ランダムデータ作成＋ソート結果を表示(ファイル出力しない)\n");
scanf("%d",&i);
if(i==1){
printf("作成したデータは同階層のdata.csvに保存されます。\n");
DataRandomize(student);
if(WriteDataFile(student) == 0){
NumberAssign(student);
ScoreAverage(student);
printf("作成データ\n");
DataDisplay(student);
}
}else if(i==2){
if(ReadDataFile(student) == 0){
NumberAssign(student);
ScoreAverage(student);
printf("読込データ\n");
DataDisplay(student);
DataBubbleSort(student);
printf("ソート結果\n");
DataDisplay(student);
printf("番号・平均を含んだソート結果をresult.csvに保存しますか？");
if(YesOrNo() == 1) WriteSortFile(student);
}
}else if(i==3){
NumberAssign(student);
DataRandomize(student);
ScoreAverage(student);
printf("作成データ\n");
DataDisplay(student);
DataBubbleSort(student);
printf("ソート結果\n");
DataDisplay(student);
}else{
printf("1、2、3のいずれかを入力してください。\n");
}
return 0;
}
int main (int argc, char *argv[])
{
int n,i,found_sep;
const char *frc_dir_name = NULL;
const char *frc_file_name = NULL;
pflag = 1;
iflag = 0;
forcefield = FF_TYPE_CLASS1 | FF_TYPE_COMMON;
shift[0] = shift[1] = shift[2] = 0.0;
frc_dir_name = getenv("MSI2LMP_LIBRARY");
if (argc < 2) {
printf("usage: %s <rootname> [-class <I|1|II|2>] [-frc <path to frc file>] [-print #] [-ignore] [-nocenter] [-oldstyle]\n",argv[0]);
return 1;
} else { /* rootname was supplied as first argument, copy to rootname */
int len = strlen(argv[1]) + 1;
rootname = (char *)malloc(len);
strcpy(rootname,argv[1]);
}
n = 2;
while (n < argc) {
if (strncmp(argv[n],"-c",2) == 0) {
n++;
if (check_arg(argv,"-class",n,argc))
return 2;
if ((strcmp(argv[n],"I") == 0) || (strcmp(argv[n],"1") == 0)) {
forcefield = FF_TYPE_CLASS1 | FF_TYPE_COMMON;
} else if ((strcmp(argv[n],"II") == 0) || (strcmp(argv[n],"2") == 0)) {
forcefield = FF_TYPE_CLASS2 | FF_TYPE_COMMON;
} else if ((strcmp(argv[n],"O") == 0) || (strcmp(argv[n],"0") == 0)) {
forcefield = FF_TYPE_OPLSAA | FF_TYPE_COMMON;
} else {
printf("Unrecognized Forcefield class: %s\n",argv[n]);
return 3;
}
} else if (strncmp(argv[n],"-f",2) == 0) {
n++;
if (check_arg(argv,"-frc",n,argc))
return 4;
frc_file_name = argv[n];
} else if (strncmp(argv[n],"-s",2) == 0) {
if (n+3 > argc) {
printf("Missing argument(s) to \"-shift\" flag\n");
return 1;
}
shift[0] = atof(argv[++n]);
shift[1] = atof(argv[++n]);
shift[2] = atof(argv[++n]);
} else if (strncmp(argv[n],"-i",2) == 0 ) {
iflag = 1;
} else if (strncmp(argv[n],"-n",4) == 0 ) {
centerflag = 0;
} else if (strncmp(argv[n],"-o",4) == 0 ) {
hintflag = 0;
} else if (strncmp(argv[n],"-p",2) == 0) {
n++;
if (check_arg(argv,"-print",n,argc))
return 5;
pflag = atoi(argv[n]);
} else {
printf("Unrecognized option: %s\n",argv[n]);
return 6;
}
n++;
}
/* set defaults, if nothing else was given */
if (frc_dir_name == NULL)
#if (_WIN32)
frc_dir_name = "..\\frc_files";
#else
frc_dir_name = "../frc_files";
#endif
if (frc_file_name == NULL)
frc_file_name = "cvff.frc";
found_sep=0;
#ifdef _WIN32
if (isalpha(frc_file_name[0]) && (frc_file_name[1] == ':'))
found_sep=1; /* windows drive letter => full path. */
#endif
n = strlen(frc_file_name);
for (i=0; i < n; ++i) {
#ifdef _WIN32
if ((frc_file_name[i] == '/') || (frc_file_name[i] == '\\'))
found_sep=1+i;
#else
if (frc_file_name[i] == '/')
found_sep=1+i;
#endif
}
/* full pathname given */
if (found_sep) {
i = 0;
/* need to append extension? */
if ((n < 5) || (strcmp(frc_file_name+n-4,".frc") !=0))
i=1;
FrcFileName = (char *)malloc(n+1+i*4);
strcpy(FrcFileName,frc_file_name);
if (i) strcat(FrcFileName,".frc");
} else {
i = 0;
/* need to append extension? */
if ((n < 5) || (strcmp(frc_file_name+n-4,".frc") !=0))
i=1;
FrcFileName = (char *)malloc(n+2+i*4+strlen(frc_dir_name));
strcpy(FrcFileName,frc_dir_name);
#ifdef _WIN32
strcat(FrcFileName,"\\");
#else
strcat(FrcFileName,"/");
#endif
strcat(FrcFileName,frc_file_name);
if (i) strcat(FrcFileName,".frc");
}
if (pflag > 0) {
puts("\nRunning msi2lmp " MSI2LMP_VERSION "\n");
if (forcefield & FF_TYPE_CLASS1) puts(" Forcefield: Class I");
if (forcefield & FF_TYPE_CLASS2) puts(" Forcefield: Class II");
if (forcefield & FF_TYPE_OPLSAA) puts(" Forcefield: OPLS-AA");
printf(" Forcefield file name: %s\n",FrcFileName);
if (centerflag) puts(" Output is recentered around geometrical center");
if (hintflag) puts(" Output contains style flag hints");
else puts(" Style flag hints disabled");
printf(" System translated by: %g %g %g\n",shift[0],shift[1],shift[2]);
}
n = 0;
if (forcefield & FF_TYPE_CLASS1) {
if (strstr(FrcFileName,"cvff") != NULL) ++n;
if (strstr(FrcFileName,"clayff") != NULL) ++n;
} else if (forcefield & FF_TYPE_OPLSAA) {
if (strstr(FrcFileName,"oplsaa") != NULL) ++n;
} else if (forcefield & FF_TYPE_CLASS2) {
if (strstr(FrcFileName,"pcff") != NULL) ++n;
if (strstr(FrcFileName,"cff91") != NULL) ++n;
if (strstr(FrcFileName,"compass") != NULL) ++n;
}
if (n == 0) {
if (iflag > 0) fputs(" WARNING",stderr);
else fputs(" Error ",stderr);
fputs("- forcefield name and class appear to be inconsistent\n\n",stderr);
if (iflag == 0) return 7;
}
/* Read in .car file */
ReadCarFile();
/*Read in .mdf file */
ReadMdfFile();
/* Define bonds, angles, etc...*/
if (pflag > 0)
printf("\n Building internal coordinate lists \n");
MakeLists();
/* Read .frc file into memory */
if (pflag > 0)
printf("\n Reading forcefield file \n");
ReadFrcFile();
/* Get forcefield parameters */
if (pflag > 0)
printf("\n Get force field parameters for this system\n");
GetParameters();
/* Do internal check of internal coordinate lists */
if (pflag > 0)
printf("\n Check parameters for internal consistency\n");
CheckLists();
/* Write out the final data */
WriteDataFile(rootname);
/* free up memory to detect possible memory corruption */
free(rootname);
free(FrcFileName);
ClearFrcData();
for (n=0; n < no_molecules; n++) {
free(molecule[n].residue);
}
free(no_atoms);
free(molecule);
free(atoms);
free(atomtypes);
if (bonds) free(bonds);
if (bondtypes) free(bondtypes);
if (angles) free(angles);
if (angletypes) free(angletypes);
if (dihedrals) free(dihedrals);
if (dihedraltypes) free(dihedraltypes);
if (oops) free(oops);
if (ooptypes) free(ooptypes);
if (angleangles) free(angleangles);
if (angleangletypes) free(angleangletypes);
if (pflag > 0)
printf("\nNormal program termination\n");
return 0;
}
SlimServerInfo::~SlimServerInfo()
{
DEBUGF("");
WriteDataFile();
}
