Changeset 10f641 for src/parser.cpp

Timestamp:

Apr 28, 2008, 11:36:11 AM (18 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, Candidate_v1.7.0, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

140e34

Parents:

b0a0c3

Message:

All filenames (const char *) have been transferred to defs.hpp

Filenames have been transformed into #define's into order to centralise these values. Parser.hpp had these already and they were streamlined to match defs.hpp (which is now included in parser.hpp)

File:

• src/parser.cpp (modified) (8 diffs)

src/parser.cpp

@@ -43 +43 @@
   stringstream line;
 
-  line << argv[1] << FactorsFile;
+  line << argv[1] << FRAGMENTPREFIX << TEFACTORSFILE;
   return FilePresent(line.str().c_str());
 };
@@ -106 +106 @@
   // count the number of matrices
   MatrixCounter = -1; // we count one too much
-  line << name << FactorsFile;
+  line << name << FRAGMENTPREFIX << TEFACTORSFILE;
   input.open(line.str().c_str(), ios::in);
   if (input == NULL) {
@@ -127 +127 @@
     FragmentNumber = FixedDigitNumber(MatrixCounter, i);
     if (i != MatrixCounter)  
-      line << name << FragmentPrefix << FragmentNumber << "/" << prefix << suffix;
+      line << name << FRAGMENTPREFIX << FragmentNumber << "/" << prefix << suffix;
     else
       line << name << prefix << suffix;
@@ -329 +329 @@
     stringstream line;
     FragmentNumber = FixedDigitNumber(MatrixCounter, i);
-    line << name << FragmentPrefix << FragmentNumber << "/" << prefix;
+    line << name << FRAGMENTPREFIX << FragmentNumber << "/" << prefix;
     Free((void **)&FragmentNumber, "*FragmentNumber");
     output.open(line.str().c_str(), ios::out);
@@ -424 +424 @@
   cout << "Parsing force indices." << endl;
   Indices = (int **) Malloc(sizeof(int *)*(MatrixCounter+1), "ForceMatrix::ParseIndices: **Indices");
-  line << name << ForcesFile;
+  line << name << FRAGMENTPREFIX << FORCESFILE;
   input.open(line.str().c_str(), ios::in);
   //cout << "Opening " << line.str() << " ... "  << input << endl;
@@ -439 +439 @@
     Indices[i] = (int *) Malloc(sizeof(int)*RowCounter[i], "ForceMatrix::ParseIndices: *Indices[]");
     FragmentNumber = FixedDigitNumber(MatrixCounter, i);
-    cout << FragmentPrefix << FragmentNumber << "[" << RowCounter[i] << "]:";
+    cout << FRAGMENTPREFIX << FragmentNumber << "[" << RowCounter[i] << "]:";
     Free((void **)&FragmentNumber, "ForceMatrix::ParseIndices: *FragmentNumber");
     for(int j=0;(j<RowCounter[i]) && (!line.eof());j++) {
@@ -521 +521 @@
   cout << "Parsing key sets." << endl;
   KeySets = (int **) Malloc(sizeof(int *)*FragmentCounter, "KeySetsContainer::ParseKeySets: **KeySets");
-  line << name << KeySetsFile;
+  line << name << FRAGMENTPREFIX << KEYSETFILE;
   input.open(line.str().c_str(), ios::in);
   if (input == NULL) {
@@ -535 +535 @@
     KeySets[i] = (int *) Malloc(sizeof(int)*AtomCounter[i], "KeySetsContainer::ParseKeySets: *KeySets[]");
     FragmentNumber = FixedDigitNumber(FragmentCounter, i);
-    cout << FragmentPrefix << FragmentNumber << "[" << AtomCounter[i] << "]:";
+    cout << FRAGMENTPREFIX << FragmentNumber << "[" << AtomCounter[i] << "]:";
     Free((void **)&FragmentNumber, "KeySetsContainer::ParseKeySets: *FragmentNumber");
     input.getline(filename, 1023);