Changeset c750cc for src/molecules.cpp

Timestamp:

Apr 29, 2008, 12:19:51 PM (17 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, 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:

260934

Parents:

451148

Message:

char lengths of 255 and MAXDUMMYSTRING replaced with define MAXSTRINGSIZE in molecuilder and pcp

File:

• src/molecules.cpp (modified) (7 diffs)

src/molecules.cpp

@@ -1892 +1892 @@
   ifstream KeySetFile;
   stringstream line;
-  char *filename = (char *) Malloc(sizeof(char)*255, "molecule::ParseKeySetFile - filename");
+  char *filename = (char *) Malloc(sizeof(char)*MAXSTRINGSIZE, "molecule::ParseKeySetFile - filename");
   
   if (FragmentList != NULL) { // check list pointer
@@ -1905 +1905 @@
     // each line represents a new fragment
     int NumberOfFragments = 0;
-    char *buffer = (char *) Malloc(sizeof(char)*255, "molecule::ParseKeySetFile - *buffer");
+    char *buffer = (char *) Malloc(sizeof(char)*MAXSTRINGSIZE, "molecule::ParseKeySetFile - *buffer");
     // 1. scan through file to know number of fragments
     while (!KeySetFile.eof()) {
-      KeySetFile.getline(buffer, 255);
+      KeySetFile.getline(buffer, MAXSTRINGSIZE);
       if (strlen(buffer) > 0) // there is at least on possible number on the parsed line
         NumberOfFragments++;
@@ -1919 +1919 @@
     NumberOfFragments = 0;
     while ((!KeySetFile.eof()) && (FragmentList->NumberOfMolecules > NumberOfFragments)) {
-      KeySetFile.getline(buffer, 255);
+      KeySetFile.getline(buffer, MAXSTRINGSIZE);
       KeySet CurrentSet;
       if ((strlen(buffer) > 0) && (ScanBufferIntoKeySet(out, buffer, CurrentSet)))  // if at least one valid atom was added, write config
@@ -1946 +1946 @@
   ofstream AdjacencyFile;
   atom *Walker = NULL;
-  char *filename = (char *) Malloc(sizeof(char)*255, "molecule::StoreAdjacencyToFile - filename");
+  char *filename = (char *) Malloc(sizeof(char)*MAXSTRINGSIZE, "molecule::StoreAdjacencyToFile - filename");
   bool status = true;
 
@@ -1982 +1982 @@
 bool molecule::CheckAdjacencyFileAgainstMolecule(ofstream *out, char *path, atom **ListOfAtoms, int bondorder)
 {
-  char *filename = (char *) Malloc(sizeof(char)*255, "molecule::CheckAdjacencyFileAgainstMolecule - filename");
+  char *filename = (char *) Malloc(sizeof(char)*MAXSTRINGSIZE, "molecule::CheckAdjacencyFileAgainstMolecule - filename");
   ifstream File;
   bool status = true;
@@ -1996 +1996 @@
 
     // determine order from file
-    File.getline(filename, 255);    
+    File.getline(filename, MAXSTRINGSIZE);    
     if (bondorder != atoi(&filename[5])) {
       *out << "Bond order desired is " << bondorder << " and does not match one in file " << filename[6] << "." << endl;
@@ -2003 +2003 @@
       // Parse the file line by line and count the bonds
       while (!File.eof()) {
-        File.getline(filename, 255);
+        File.getline(filename, MAXSTRINGSIZE);
         stringstream line;
         line.str(filename);