void KLameOptionsDialogue::setupInitialDefault() { wipeSettings(); if (lameOptions_ == "") // Set basic defaults if no options given setupDisplay(); else setDefaultOptions(lameOptions_); }
bool GNELoadThread::initOptions() { OptionsCont& oc = OptionsCont::getOptions(); fillOptions(oc); if (myFile != "") { if (myLoadNet) { oc.set("sumo-net-file", myFile); } else { oc.set("configuration-file", myFile); } } setDefaultOptions(oc); try { OptionsIO::getOptions(); if (!oc.isSet("output-file")) { oc.set("output-file", oc.getString("sumo-net-file")); } return true; } catch (ProcessError& e) { if (std::string(e.what()) != std::string("Process Error") && std::string(e.what()) != std::string("")) { WRITE_ERROR(e.what()); } WRITE_ERROR("Failed to parse options."); } return false; }
void Curl::reset() { buffer = ""; http_response_code = 0; response_headers.clear(); http_response_message.clear(); setCallback(); setUserPass(); setDefaultOptions(); }
OovStatusReturn GuiOptions::read() { setFilename(Project::getGuiOptionsFilePath()); OovStatus status = NameValueFile::readFile(); if(status.ok()) { setDefaultOptions(); } return status; }
extern "C" int main (int argc, char **argv) { ::testing::AddGlobalTestEnvironment(new LocalEnv); //::testing::GTEST_FLAG(throw_on_failure) = true; ::testing::InitGoogleTest(&argc, argv); setDefaultOptions(); parseCommandline(argc, argv); Application& app = Singleton<Application>::getInstance(); const GamePtr& game = Singleton<GameRegistry>::getInstance().getGame(); app.setOrganisation("caveproductions"); app.setName(game->getName()); Log::get().addConsole(&console); Config.init(nullptr, argc, argv); return RUN_ALL_TESTS(); }
void MainPage::deviceDetected( const SDeviceItem & device ) { if( !p->devices.contains(device) ) { p->devices << device; p->src_combo->insertItem( p->devices.count()-1 , SMasterIcons::icon(ICON_SIZE,"drive-optical.png") , device.name() ); } else { int index = p->devices.indexOf( device ); p->devices.removeAt( index ); p->devices.insert( index , device ); p->src_combo->setItemText( index , device.name() ); } setDefaultOptions(); check_access(); }
//============================================================================== BenderClientOptions::BenderClientOptions (MainComponent &_owner) : owner(_owner) { addAndMakeVisible (benderProperties = new PropertyPanel()); //[UserPreSize] //[/UserPreSize] setSize (600, 400); //[Constructor] You can add your own custom stuff here.. benderClientProperties = new ApplicationProperties(); PropertiesFile::Options storageOptions; storageOptions.millisecondsBeforeSaving = 250; storageOptions.folderName = ".config/bender-client"; storageOptions.commonToAllUsers = false; storageOptions.applicationName = "bender-client"; storageOptions.filenameSuffix = ".xml"; storageOptions.storageFormat = PropertiesFile::storeAsXML; benderClientProperties->setStorageParameters (storageOptions); if (benderClientProperties->getUserSettings()) { ScopedPointer <XmlElement> benderPropertiesTreeAsXml (benderClientProperties->getUserSettings()->getXmlValue("bender-properties")); if (benderPropertiesTreeAsXml) { benderPropertiesTree = ValueTree::fromXml (*benderPropertiesTreeAsXml); } else { setDefaultOptions(); } fillPropertyPanel(); } benderPropertiesTree.addListener (this); //[/Constructor] }
int main(int argc, char *argv[]) { setlocale(LC_NUMERIC, "C"); getargs(argc,argv); setDefaultOptions(); readIniFile(); Q_INIT_RESOURCE(pvdevelop); QApplication app(argc, argv); setlocale(LC_NUMERIC, "C"); perhapsDoAction(); QIcon appIcon(":/images/app.png"); app.setWindowIcon(appIcon); MainWindow mainWin; mainWin.showMaximized(); if(opt_develop.murx) QDir::setCurrent("/home/lehrig/temp/murx"); return app.exec(); }
void initialize(char * helpFileName, char * dataFileName, char * macroFileName, char * dataPath, char * macroPath, char * homePath, promptType prompt) { long i; Symbolhandle symh, symh1; long length, nMacroFiles = 0, nPaths = 0; long nBuiltins = 0; char *dataPathName = (char *) 0, *macroPathName = (char *) 0; char *macroFileNames[NMACROFILES+1]; char *place; char completePath[PATHSIZE+1]; char *pathName; double value; #ifdef READLINE #if defined(INPUTRCFILE) || defined(DEFAULTINPUTRC) Keymap keymap; /* current keymap */ char *backwardkillword = "\033\010"; /*Esc-Backspace*/ FILE *readlineBindings = (FILE *) 0; Symbolhandle symhPath = (Symbolhandle) 0; #endif /*defined(INPUTRCFILE) || defined(DEFAULTINPUTRC)*/ #endif /*READLINE*/ WHERE("initialize"); getElapsedTime((double *) 0); /* save current time */ getElapsedTime((double *) 0); /* do it twice for good measure */ #if defined(MSDOS) pathName = get_dataPath(); for (i = 0; pathName[i] != '\0'; i++) { /* make sure all path separators are '\\' */ if (pathName[i] == '/') { pathName[i] = DIRSEPARATOR[0]; } } /*for (i == 0; pathName[i] != '\0'; i++)*/ #elif defined(MACINTOSH) /* macGetPath() returns address of completePath */ pathName = macGetPath(completePath, HomeVolume, HomeDirectory); #elif defined(UNIX) pathName = getenv("HOME"); #elif defined(VMS) pathName = getenv("ANOVA$HOME"); dataPathName = macroPathName = pathName; #endif if (pathName == (char *) 0) { completePath[0] = '\0'; } /*if (pathName == (char *) 0)*/ else { if (pathName != completePath) { strncpy(completePath, pathName, PATHSIZE); completePath[PATHSIZE] = '\0'; } length = strlen(completePath); #ifndef NOSEPARATOR if (completePath[length-1] != DIRSEPARATOR[0] && length < PATHSIZE) { strcat(completePath, DIRSEPARATOR); } #endif /*NOSEPARATOR*/ } /*if (pathName == (char *) 0){}else{}*/ homePath = (homePath != (char *) 0) ? homePath : completePath ; #if !defined(UNIX) && !defined(VMS) if (completePath[0] != '\0') { dataPathName = (dataPath != (char *) 0) ? dataPath : completePath; macroPathName = (macroPath != (char *) 0) ? macroPath : completePath; } else #endif /*UNIX*/ /* use defined values on Unix which should have trailing '/' */ { dataPathName = (dataPath != (char *) 0) ? dataPath : DATAPATHNAME; macroPathName = (macroPath != (char *) 0) ? macroPath : MACROPATHNAME; } /* initialized math constants */ MV_E = exp(1); MV_PI_4 = atan(1.0); MV_PI_2 = 2.0*MV_PI_4; MV_PI = 4.0*MV_PI_4; #ifdef M_E MV_LOG2E = M_LOG2E; MV_LOG10E = M_LOG10E; MV_LN2 = M_LN2; MV_LN10 = M_LN10; MV_1_PI = M_1_PI; MV_2_PI = M_2_PI; MV_2_SQRTPI = M_2_SQRTPI; MV_SQRT2 = M_SQRT2; #ifdef M_SQRT1_2 MV_SQRT1_2 = M_SQRT1_2; #else /*M_SQRT1_2*/ MV_SQRT1_2 = M_SQRT_2; /*Borland math.h name of constant */ #endif /*M_SQRT1_2*/ #else /*M_E*/ MV_LOG2E = 1.4426950408889634074; MV_LOG10E = 0.43429448190325182765; MV_LN2 = 0.69314718055994530942; MV_LN10 = 2.30258509299404568402; MV_1_PI = 0.31830988618379067154; MV_2_PI = 0.63661977236758134308; MV_2_SQRTPI = 1.12837916709551257390; MV_SQRT2 = 1.41421356237309504880; MV_SQRT1_2 = 0.70710678118654752440; #endif /*M_E*/ if (!inputInit()) { /* allocate space for INPUTSTRINGS and ISTRCHARS*/ goto fatalError; } /* Allocate space for globals, BATCHECHO, INPUTFILE, INPUTFILENAMES, LASTINPUTWASCR, PROMPTS */ if (!batchInit()) { goto fatalError; } if(!Symbolinit()) { /* create size TABLESIZE symbol table and zero it out*/ goto fatalError; } if(!glmInit()) { /* allocate glm related globals */ goto fatalError; } /* create fake handles for function symbols */ for (nBuiltins = 0; builtins[nBuiltins].name; nBuiltins++) { /* count builtins */ ; } FunctionPointers = (Symbol **) mygetpointer(nBuiltins * sizeof(Symbol *)); FunctionSymbols = (FunctionSymbol *) mygetpointer(nBuiltins* sizeof(FunctionSymbol)); if(FunctionPointers == (Symbol **) 0 || FunctionSymbols == (FunctionSymbol *) 0) { goto fatalError; } for (i = 0;i<nBuiltins; i++) { /* make fake Symbolhandle for each builtin function */ symh = FunctionPointers + i; *symh = (Symbol *) (FunctionSymbols+i); setTYPE(symh, BLTIN); markFakeSymbol(symh); /* indicates it's fake if we ever need to know */ setNDIMS(symh, 1); setDIM(symh, 1, 1); setPREV(symh, (Symbolhandle) 0); setNEXT(symh, (Symbolhandle) 0); setFPTR(symh, builtins[i].function); setNAME(symh, builtins[i].name); Addsymbol(symh); } /*for (i = 0;i<nBuiltins; i++)*/ /* now install pre-defined constants */ for (i = 0; constants[i].name; i++) { symh = RInstall(constants[i].name, 1L); if(symh == (Symbolhandle) 0) { goto fatalError; } if(strcmp(NAME(symh),"PI") == 0) { value = MV_PI; } else if(strcmp(NAME(symh),"E") == 0) { value = MV_E; } else if(strcmp(NAME(symh),"DEGPERRAD") == 0) { value = 45.0/MV_PI_4; } else { value = constants[i].value; } DATAVALUE(symh,0) = value; } /*for (i = 0; constants[i].name; i++)*/ /* Create NULLSYMBOL (value returned by print(), etc. Note that it is *not* installed in the symbol table */ NULLSYMBOL = Makesymbol(NULLSYM); if(NULLSYMBOL == (Symbolhandle) 0) { goto fatalError; } setNAME(NULLSYMBOL, "NULLSYMBOL"); /* initialize special symbol CLIPBOARD */ if (!iniClipboard(CLIPBOARDNAME)) { goto fatalError; } #ifdef HASSELECTION /* initialize special symbol SELECTION */ if (!iniClipboard(SELECTIONNAME)) { goto fatalError; } #endif /*HASSELECTION*/ /* install pre-defined macros */ if (!iniMacros()) { goto fatalError; } /* install pre-defined string variables (they must all be scalar) */ for (i = 0; stringvars[i].name; i++) { symh = CInstall(stringvars[i].name, strlen(stringvars[i].string) + 1); if(symh == (Symbolhandle) 0) { goto fatalError; } strcpy(STRINGPTR(symh), stringvars[i].string); cleanString(STRINGPTR(symh)); } /*for (i = 0; stringvars[i].name; i++)*/ /* set value for MISSING and infinities */ #if LONGSPERDOUBLE == 2 setBdouble(Missing, HIMISSING, LOWMISSING); #ifdef HASINFINITY setBdouble(PlusInfinity, HIPLUSINFINITY, LOWPLUSINFINITY); setBdouble(MinusInfinity, HIMINUSINFINITY, LOWMINUSINFINITY); #endif /*HASINFINITY*/ #else /*LONGSPERDOUBLE == 2*/ MISSING = MISSINGVALUE; /* may have to do something fancier than this */ #ifdef HASINFINITY PLUSINFINITY = 1.0/0.0; MINUSINFINITY = -1.0/0.0; #endif /*HASINFINITY*/ #endif /*LONGSPERDOUBLE == 2*/ /* TOOBIGVALUE should be HUGE_VAL which may be infinite */ #ifndef NOSTRTOD TOOBIGVALUE = mystrtod(TOOBIGVALUESTRING,(char **) 0); #else /*NOSTRTOD*/ #ifdef HUGE_VAL TOOBIGVALUE = HUGE_VAL; #else /*HUGE_VAL*/ TOOBIGVALUE = exp(1e200); #endif /*HUGE_VAL*/ #endif /*NOSTRTOD*/ OLDMISSING = OLDMISSINGVALUE; /* -99999.9999 */ setDefaultOptions(); /* set default options */ if (prompt[0] != '\0') { strcpy((char *) DEFAULTPROMPTS[0], (char *) prompt); } strcpy((char *) PROMPTS[0], (char *) DEFAULTPROMPTS[0]); #ifdef VERSION sprintf(OUTSTR,"MacAnova %s ",VERSION); #ifdef TODAY strcat(OUTSTR,TODAY); #endif /*TODAY*/ symh = CInstall("VERSION", strlen(OUTSTR) + 1); if(symh == (Symbolhandle) 0) { goto fatalError; } strcpy(STRINGPTR(symh),OUTSTR); *OUTSTR = '\0'; VERSION_ID = myduphandle(STRING(symh)); if(VERSION_ID == (char **) 0) { goto fatalError; } #endif /*VERSION*/ /* Create global HELPFILENAME*/ if(helpFileName == (char *) 0) { helpFileName = HELPNAME; #ifdef UNIX pathName = HELPPATHNAME; #elif defined(VMS) pathName = getenv("ANOVA$HOME"); #else /*UNIX*/ pathName = completePath; #endif /*UNIX*/ } else { pathName = NullString; } length = strlen(pathName) + strlen(helpFileName); HELPFILENAME = mygethandle(length + 1); if(HELPFILENAME == (char **) 0) { goto fatalError; } strcpy(*HELPFILENAME,pathName); strcat(*HELPFILENAME,helpFileName); /* Install CHARACTER scalar DATAPATH containing dataPathName */ length = strlen(dataPathName); #ifndef NOSEPARATOR if (dataPathName[length-1] != DIRSEPARATOR[0]) { length++; } #endif /*NOSEPARATOR*/ symh = CInstall("DATAPATH",length + 1); if (symh == (Symbolhandle) 0) { goto fatalError; } strcpy(STRINGPTR(symh),dataPathName); #ifndef NOSEPARATOR STRINGVALUE(symh, length-1) = DIRSEPARATOR[0]; STRINGVALUE(symh, length) = '\0'; #endif /*NOSEPARATOR*/ /* Install CHARACTER vector DATAPATHS containing dataPathName and macroPathName. If they are the same, they are not duplicated */ nPaths = 1; if (strcmp(macroPathName, dataPathName) != 0 && strcmp(macroPathName, STRINGPTR(symh)) != 0) { long length2 = strlen(macroPathName); length++; /* account for trailing null of dataPathName */ nPaths = 2; #ifndef NOSEPARATOR if (macroPathName[length2-1] != DIRSEPARATOR[0]) { length2++; } #endif /*NOSEPARATOR*/ length += length2; } symh1 = CInstall("DATAPATHS",length + 1); if (symh1 == (Symbolhandle) 0) { goto fatalError; } strcpy(STRINGPTR(symh1),STRINGPTR(symh)); if (nPaths > 1) { strcpy(skipStrings(STRINGPTR(symh1), 1), macroPathName); #ifndef NOSEPARATOR STRINGVALUE(symh1,length-1) = DIRSEPARATOR[0]; STRINGVALUE(symh1,length) = '\0'; #endif /*NOSEPARATOR*/ } setDIM(symh1, 1, nPaths); /* pre-install CHARACTER scalar HOME */ length = strlen(homePath); if(length > 0) { #ifndef NOSEPARATOR if (homePath[length-1] != DIRSEPARATOR[0]) { /* make room for terminating separator */ length++; } #endif /*NOSEPARATOR*/ symh = CInstall("HOME",length + 1); if (symh == (Symbolhandle) 0) { goto fatalError; } strcpy(STRINGPTR(symh),homePath); #ifndef NOSEPARATOR /* make sure HOME terminates with DIRSEPARATOR[0]*/ STRINGVALUE(symh, length-1) = DIRSEPARATOR[0]; STRINGVALUE(symh, length) = '\0'; #endif /*NOSEPARATOR*/ #ifdef MSDOS { char *pc; for (pc = STRINGPTR(symh); *pc != '\0'; pc++) { /* ensure all separators are standard backslashes*/ if (*pc == '/') { *pc = DIRSEPARATOR[0]; } } /*for (pc = STRINGPTR(symh); *pc != '\0'; pc++)*/ } #endif /*MSDOS*/ } /*if(length > 0)*/ /* install CHARACTER scalar DATAFILE */ if(dataFileName == (char *) 0) { dataFileName = DATAFILENAME; } length = strlen(dataFileName); symh = CInstall("DATAFILE", length + 1); if (symh == (Symbolhandle) 0) { goto fatalError; } strcpy(STRINGPTR(symh), dataFileName); /* Install CHARACTER scalar MACROFILE and CHARACTER vector MACROFILES*/ for (i = 0; i < NMACROFILES + 1; i++) { macroFileNames[i] = NullString; } if (macroFileName != (char *) 0) { macroFileNames[nMacroFiles++] = macroFileName; } macroFileNames[nMacroFiles++] = MACROFILENAME; macroFileNames[nMacroFiles++] = TSMACROFILENAME; macroFileNames[nMacroFiles++] = DESIGNMACROFILENAME; macroFileNames[nMacroFiles++] = ARIMAMACROFILENAME; length = strlen(macroFileNames[0]) + 1; symh = CInstall("MACROFILE",length); if(symh == (Symbolhandle) 0) { goto fatalError; } strcpy(STRINGPTR(symh), macroFileNames[0]); length = 0; for (i = 0; i < nMacroFiles; i++) { length += strlen(macroFileNames[i]) + 1; } symh = CInstall("MACROFILES", length); if (symh == (Symbolhandle) 0) { goto fatalError; } setDIM(symh, 1, nMacroFiles); place = STRINGPTR(symh); for (i = 0; i < nMacroFiles; i++) { place = copyStrings(macroFileNames[i], place, 1); } #ifdef READLINE /* Initialize line editing and history */ #if defined(INPUTRCFILE) || defined(DEFAULTINPUTRC) using_history(); /*added 980108*/ rl_initialize(); /*added 980106 */ rl_initialize_funmap(); keymap = rl_get_keymap(); if (keymap != (Keymap) 0) { /* this binding is standard but not the default in readline 1.1 */ rl_set_key (backwardkillword, rl_backward_kill_word, keymap); } /*if (keymap != (Keymap) 0)*/ #ifndef INPUTRCFILE pathName = OUTSTR; strcpy(pathName, dataPathName); strcat(pathName, DEFAULTINPUTRC); #else /*INPUTRCFILE*/ pathName = INPUTRCFILE; #endif /*INPUTRCFILE*/ if (pathName[0] != '\0') { readlineBindings = fmyopen(pathName, TEXTREADMODE); if (readlineBindings != (FILE *) 0) { fclose(readlineBindings); rl_read_init_file(pathName); } /*if (readlineBindings != (FILE *) 0)*/ } /*if (pathName[0] != '\0')*/ #endif /*defined(INPUTRCFILE) || defined(DEFAULTINPUTRC)*/ #endif /*READLINE*/ /* initialize or clear virtually everything in sight */ *OUTSTR = '\0'; for (i = 0;i < MAXWDEPTH;i++) { WHILELIMITS[i] = MAXWHILE; FORVECTORS[i] = (double **) 0; } clearGlobals(); INPUTFILE[0] = STDIN; INPUTFILENAMES[0] = &StdinName; for (i=1;i<MAXBDEPTH;i++) { INPUTFILE[i] = (FILE *) 0; INPUTFILENAMES[i] = (char **) 0; } TMPHANDLE = mygethandle(sizeof(double)); /*warehouseable length*/ if(TMPHANDLE == (char **) 0) { goto fatalError; } INPUTSTRING = ThisInputstring = (unsigned char **) TMPHANDLE; (*INPUTSTRING)[0] = '\0'; GUBED = 0; /* this is here to make it easy to change for debugging */ #ifdef DJGPP INTERRUPT = INTSET; (void) interrupted(0); /* to get DJGPP started */ INTERRUPT = INTNOTSET; #endif /*DJGPP*/ #if defined(BCPP) || defined (wx_msw) (void) _control87(EM_OVERFLOW,EM_OVERFLOW); #endif /*BCPP||wxmsw*/ #ifdef wx_motif #if (0) /* inititalization now done in base frame initializer */ initializePSPrinter(); #endif #endif /*wx_motif*/ return ; fatalError: FatalError = 1; } /*initialize()*/
void KLameOptionsDialogue::buildOptions() { // Clear the options and rebuild them. Set Silent operation. lameOptions_ = " --silent"; // Additional options - we may need to parse these QString additionalOpt = optionsDialogueUi.additionalOptions->text(); if (optionsDialogueUi.discardInvalidOptions->isChecked()) stripBadOptions(additionalOpt ); // Pull out invalid options setDefaultOptions(additionalOpt); // Set any display options from this lameOptions_ += additionalOpt; // Check for VBR or CBR/ABR. These are all the basic settings on second tab. if (optionsDialogueUi.qualityPref->isChecked()) //VBR { // Set vbr quality, maximum bitrate and algorithm lameOptions_ += " -V " + QString::number((100-optionsDialogueUi.qualityDisplay-> value())/10); if (optionsDialogueUi.useMaxBitrate->isChecked()) lameOptions_ += " -B " + QString::number(optionsDialogueUi.maxBitrateDisplay-> value()); if (optionsDialogueUi.algorithmVbr->currentIndex() == 1) lameOptions_ += " --vbr-new"; else lameOptions_ += " --vbr-old"; if (optionsDialogueUi.useMinVbrBitrate->isChecked()) lameOptions_ += " -b " + QString::number(optionsDialogueUi.bitrateDisplay-> value()); } else // CBR/ABR { // Set CBR or ABR bitrates if (! optionsDialogueUi.useCbr->isChecked()) { lameOptions_ += " --abr " + QString::number(optionsDialogueUi.abrBitrateDisplay-> value()); if (optionsDialogueUi.useMaxBitrate->isChecked()) lameOptions_ += " -B " + QString::number(optionsDialogueUi.maxBitrateDisplay-> value()); if (optionsDialogueUi.useMinVbrBitrate->isChecked()) lameOptions_ += " -b " + QString::number(optionsDialogueUi.bitrateDisplay-> value()); } else { lameOptions_ += " --cbr "; lameOptions_ += "-b " + QString::number(optionsDialogueUi.bitrateDisplay-> value()); } } // These are the advanced settings on the third tab // Set mono or stereo modes switch (optionsDialogueUi.mode->currentIndex()) { case 1: lameOptions_ += " -m m"; break; case 2: lameOptions_ += " -m s"; break; case 3: lameOptions_ += " -m j"; break; case 4: lameOptions_ += " -m f"; break; case 5: lameOptions_ += " -m d"; break; } // Quality setting lameOptions_ += " -q " + QString::number(optionsDialogueUi.qualitySetting->value()); // No filtering (use all bandwidths) advanced option if (optionsDialogueUi.noFiltering->isChecked()) lameOptions_ += " -k"; // Allow Block sizes to differ between channels setting // if (blockSizeDifference->isChecked()) // lameOptions_ += " -d"; // Preset option if (optionsDialogueUi.presetSelect->isChecked()) lameOptions_ += " --preset " + optionsDialogueUi.presetComboBox->currentText(); // Frequency measures if (optionsDialogueUi.highpassFreqSelect->isChecked()) lameOptions_ += " --highpass " + optionsDialogueUi.highpassFreq->text(); if (optionsDialogueUi.highpassWidthSelect->isChecked()) lameOptions_ += " --highpass-width " + optionsDialogueUi.highpassWidth->text(); if (optionsDialogueUi.lowpassFreqSelect->isChecked()) lameOptions_ += " --lowpass " + optionsDialogueUi.lowpassFreq->text(); if (optionsDialogueUi.lowpassWidthSelect->isChecked()) lameOptions_ += " --lowpass-width " + optionsDialogueUi.lowpassWidth->text(); // Change measure used for determining quality (0-9) if (optionsDialogueUi.changeQualityMeasure->isChecked()) lameOptions_ += " -X " + QString::number(optionsDialogueUi.qualityMeasure-> value()); // Resample if checked if (optionsDialogueUi.useResampleFrequency->isChecked()) { QString resampleFrequencyText = optionsDialogueUi.resampleFrequency->currentText(); lameOptions_ += " --resample " + resampleFrequencyText. left(resampleFrequencyText.indexOf(" kHz")); } // Tonality Limit if (optionsDialogueUi.useTonalityLimit->isChecked()) lameOptions_ += " --cwlimit " + optionsDialogueUi.tonalityLimit->text(); }
void aoIntegralFactory::Init( UnitCell& UCell, SuperCell& SCell, const char* ao_options_filename, const char* ppp_options_filename ){ /* first setting default options */ setDefaultOptions(); /* setting the various options */ std::vector< std::string > options_str = ParseText( ao_options_filename ); Opts.SetOptionsFromList( options_str ); /* now setting member values based on these options */ SetXCKernel( Opts.GetOptionString( "XCMETHOD" ) ); SetCoulombKernel( Opts.GetOptionString( "COULOMBMETHOD" ) ); SetCorr1Kernel( Opts.GetOptionString( "CORR1" ) ); SetCorr2Kernel( Opts.GetOptionString( "CORR2" ) ); SetPPPKernel( Opts.GetOptionString( "PPPKERNEL" ) ); pppkerneldist = Opts.GetOptionDouble( "PPPKERNEL_DIST" ); tolEwald = Opts.GetOptionInt( "EWALD_TOL" ); printMatr = Opts.GetOptionBool( "PRINT_MATRICES" ); printMatrToFile = Opts.GetOptionBool( "PRINT_MATRICES_TO_FILE" ); readChkpt = Opts.GetOptionBool( "READ_CHECKPOINT" ); use_new_ints = Opts.GetOptionBool( "NEW_2E_INTS" ); /* adding an extra option based on input values */ do_xc_ppp_correction = ( pppkerneldist > 0.0 ) && ( pppkern != COULOMB ) && ( xckern != NONE ); do_coulomb_ppp_correction = ( pppkerneldist > 0.0 ) && ( pppkern != COULOMB ) && ( coulombkern != NONE ); do_ppp_kernel_correction = (do_xc_ppp_correction || do_coulomb_ppp_correction ); /* setting some needed values */ inversion.setup( UCell, SCell ); dim = UCell.dim; naoSuperCell = SCell.nao; naoUnitCell = UCell.nao; naoUnit_sqp1 = ( naoUnitCell * ( naoUnitCell + 1 ) ) / 2; nTrans = SCell.total_number_of_cells; /* a matrix useful in doing minimum image convention */ invmat = make_inv_matr( SCell ); /* making atomic distance matrix */ makeDistMatr( UCell, SCell, true ); /* a matrix useful in constructing the full gamma point matrix */ make_scell_matr( SCell ); std::string ewaldFile = ".EWALD_DATA"; bool ewald_read_attempt = false; if( readChkpt ) ewald_read_attempt = read_ewald( UCell, SCell, tolEwald, ewaldFile ); if( !readChkpt || !ewald_read_attempt ){ /* now we set up the ewald potential, self potential, and nuclear energy */ ewald_self = self_potential_ewald_converge_FAST( SCell.T, SCell.K, tolEwald ); /* by calculating the self potential with this tolerance, the other ewald potentials should be converged as well */ makeEwaldMatr( UCell, SCell, tolEwald ); //nucnuc = energy_ewald_converge( UCell.T, UCell.K, UCell.coords, UCell.charge, tolEwald ); nucnuc = energy_ewald_converge_FAST( UCell.T, UCell.K, UCell.coords, UCell.charge, tolEwald ); } printf( "EWALD SELF ENERGY : %20.16f \n", ewald_self ); printf( "EWALD NUCLEAR ENERGY : %20.16f \n", nucnuc ); write_ewald( UCell, SCell, tolEwald, ewaldFile ); /* now setting PPP parameters */ if( strcmp( ao_options_filename, ppp_options_filename ) == 0 ) PPP.Init( options_str, ppp_options_filename ); else PPP.Init( ppp_options_filename ); /* making hopping matrix */ makeHoppingMatr( UCell, SCell ); /* making ppp integrals for cut-off */ makeCutMatrWS( UCell, SCell ); /* getting prefactor for integrals */ prefac = PPP.get_prefac(); /* adding in a correction if we use a periodic 1/r type operator */ if( do_ppp_kernel_correction ) { makeNonCoulombMatr( UCell, SCell, pppkerneldist ); } /* correcting the nuclear-nuclear energy, NOTE : we include terms i = i since we interact with replicated images */ if( do_ppp_kernel_correction ) { for( int i = 0; i < naoUnitCell; ++i ){ for( int j = i; j < naoUnitCell; ++j ){ for( int itrans = 0; itrans < nTrans; ++itrans ){ int index = getPerElement( i, j, itrans ); nucnuc += aoNonCoulombMatr[ index ]; } } } } /* now we print the options */ Opts.PrintOptions(); if( printMatr ){ printPerSuperMatrix( SCell, aoDistMatr, "ATOMIC DISTANCES", 20, 16 ); printPerSuperMatrix( SCell, aoHopMatr, "HOPPING MATRIX", 20, 16 ); printPerSuperMatrix( SCell, aoEwaldMatr, "EWALD MATRIX", 20, 16 ); printPerSuperMatrix( SCell, aoCutMatrWS, "WS CUT-OFF MATRIX", 20, 16 ); if( do_ppp_kernel_correction ) printPerSuperMatrix( SCell, aoNonCoulombMatr, "PPP NON-COULOMB CORRECTION" ); } if( printMatrToFile ){ printCorr1ToFile( SCell, "PPPCORR1" ); printCorr2ToFile( SCell, "PPPCORR2" ); } }