- Timestamp:
- Sep 19, 2013, 8:23:52 PM (11 years ago)
- 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:
- 46b181
- Parents:
- f54cda
- git-author:
- Frederik Heber <heber@…> (08/22/13 10:48:24)
- git-committer:
- Frederik Heber <heber@…> (09/19/13 20:23:52)
- Location:
- src
- Files:
-
- 7 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Element/periodentafel.cpp
rf54cda r76096d 44 44 #include "element.hpp" 45 45 #include "elements_db.hpp" 46 #include "Helpers/defs.hpp" 46 47 #include "periodentafel.hpp" 47 48 … … 296 297 bool status = true; 297 298 bool otherstatus = true; 298 char filename[ 255];299 char filename[MAXSTRINGSIZE]; 299 300 300 301 // fill elements DB 301 strncpy(filename, path, MAXSTRINGSIZE); 302 if (strlen(path)+1+strlen(STANDARDELEMENTSDB) > MAXSTRINGSIZE-1) 303 ELOG(2, "Generated path '" << path << "' will be too long."); 304 filename[0] = '\0'; 305 strncat(filename, path, MAXSTRINGSIZE); 302 306 strncat(filename, "/", MAXSTRINGSIZE-strlen(filename)); 303 307 strncat(filename, STANDARDELEMENTSDB, MAXSTRINGSIZE-strlen(filename)); … … 633 637 char filename[MAXSTRINGSIZE]; 634 638 635 strncpy(filename, path, MAXSTRINGSIZE); 639 if (strlen(path)+1+strlen(STANDARDELEMENTSDB) > MAXSTRINGSIZE-1) 640 ELOG(2, "Generated path '" << path << "' will be too long."); 641 filename[0] = '\0'; 642 strncat(filename, path, MAXSTRINGSIZE); 636 643 strncat(filename, "/", MAXSTRINGSIZE-strlen(filename)); 637 644 strncat(filename, STANDARDELEMENTSDB, MAXSTRINGSIZE-strlen(filename)); -
src/Fragmentation/EnergyMatrix.cpp
rf54cda r76096d 39 39 40 40 #include "CodePatterns/Log.hpp" 41 #include "Helpers/defs.hpp" 41 42 #include "KeySetsContainer.hpp" 42 43 … … 94 95 bool EnergyMatrix::ParseFragmentMatrix(const char *name, const char *prefix, std::string suffix, int skiplines, int skipcolumns) 95 96 { 96 char filename[ 1024];97 char filename[MAXSTRINGSIZE]; 97 98 bool status = MatrixContainer::ParseFragmentMatrix(name, prefix, suffix, skiplines, skipcolumns); 98 99 … … 115 116 116 117 // try independently to parse global energysuffix file if present 117 strncpy(filename, name, 1023); 118 strncat(filename, prefix, 1023-strlen(filename)); 119 strncat(filename, suffix.c_str(), 1023-strlen(filename)); 118 if (strlen(name)+strlen(prefix)+suffix.size() > MAXSTRINGSIZE-1) 119 ELOG(2, "Generated path '" << name << "' will be too long."); 120 filename[0] = '\0'; 121 strncat(filename, name, MAXSTRINGSIZE); 122 strncat(filename, prefix, MAXSTRINGSIZE-strlen(filename)); 123 strncat(filename, suffix.c_str(), MAXSTRINGSIZE-strlen(filename)); 120 124 std::ifstream input(filename); 121 125 ParseMatrix(input, skiplines, skipcolumns, MatrixCounter); -
src/Fragmentation/Summation/SetValues/unittests/FragmentUnitTest.cpp
rf54cda r76096d 505 505 ia >> samefragment; 506 506 507 CPPUNIT_ASSERT( samefragment != NULL ); 507 508 CPPUNIT_ASSERT( *fragment == *samefragment ); 508 509 -
src/Fragmentation/analyzer.cpp
rf54cda r76096d 119 119 // Test the given directory 120 120 if (!TestParams(argc, argv)) { 121 delete dir;121 delete[] dir; 122 122 delete periode; 123 123 return 1; -
src/Parser/PcpParser_helper.cpp
rf54cda r76096d 163 163 line++; 164 164 } while ((dummy1[0] == '#') || (dummy1[0] == '\n')); 165 if (dummy1 == NULL){166 if (verbose) fprintf(stderr,"Error reading line %i\n", line);167 } else {168 //fprintf(stderr,"Reading next line %i: %s\n", line, dummy1);169 }165 // if (dummy1 == NULL){ 166 // if (verbose) fprintf(stderr,"Error reading line %i\n", line); 167 // } else { 168 // //fprintf(stderr,"Reading next line %i: %s\n", line, dummy1); 169 // } 170 170 } else { // simple int, strings or doubles start in the same line 171 171 while ((*dummy == '\t') || (*dummy == ' ')) // skip interjacent tabs and spaces -
src/Tesselation/BoundaryPolygonSet.cpp
rf54cda r76096d 107 107 (*TotalNormal) += TemporaryNormal; 108 108 } 109 TotalNormal->Scale(1. / (double) counter); 109 if (counter != 0.) 110 TotalNormal->Scale(1. / (double) counter); 110 111 111 112 // make it always point inward (any offset vector onto plane projected onto normal vector suffices) -
src/Tesselation/boundary.cpp
rf54cda r76096d 752 752 mol->CenterInBox(); 753 753 } 754 delete GreatestDiameter;754 delete[] GreatestDiameter; 755 755 // update Box of atoms by boundary 756 756 mol->SetBoxDimension(&BoxLengths);
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