Changeset 748fc7 for src/builder_init.cpp

Timestamp:

Aug 21, 2014, 6:43:46 AM (11 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:

07ecc5

Parents:

d93b4b3

git-author:

Frederik Heber <heber@…> (08/19/14 11:17:27)

git-committer:

Frederik Heber <heber@…> (08/21/14 06:43:46)

Message:

libMolecuilder is now a shared library.

• linking error Vector::IsZero(double) with molecuilder(gui), related to libMolecuilderShapes was the root cause for this change. Again, it was not deducible why this error occured:
• probably (me tired of these obfuscated linker errors ...) faulted because libMolecuilder is convenience lib while libMolecuilderUI and ..QtUI are shared and deps did not get passed along properly (by libtool) (e.g. ldd showed libMolecuilderShapes prior to libLinearAlgebra, containing said function Vector::IsZero(double), but I cannot influence this ordering and it should not even matter (dynamic linking).)
• some cleanup in builder_init.cpp (no more loading of BondGraph from file named "\n".
• TESTFIX: libMolecuilder.so added to all unittests, required for e.g. World::purgeInstance() ... and sometimes added libMolecuilderUI.so because libMolecuilder pulled them in due to static entities ... sigh.
• removed all src object files from unittest .._SOURCES. This caused distclean faults "thanks" to new subdir-objects (automake).

File:

• src/builder_init.cpp (modified) (3 diffs)

src/builder_init.cpp

@@ -54 +54 @@
 #include "CodePatterns/Log.hpp"
 
-#include "Graph/BondGraph.hpp"
-
-#include "Parser/ChangeTracker.hpp"
-#include "Parser/FormatParserStorage.hpp"
+//#include "Graph/BondGraph.hpp"
 
 #include "UIElements/UIFactory.hpp"
@@ -69 +66 @@
 
 #include "version.h"
-
-#include "World.hpp"
 
 #include <boost/filesystem.hpp>
@@ -116 +111 @@
 void initUI(int argc, char **argv)
 {
-  std::string BondGraphFileName("\n");
+  //std::string BondGraphFileName("\n");
   // Parse command line options and if present create respective UI
   // construct bond graph
-  if (boost::filesystem::exists(BondGraphFileName)) {
-    std::ifstream input(BondGraphFileName.c_str());
-    if ((input.good()) && (World::getInstance().getBondGraph()->LoadBondLengthTable(input))) {
-      LOG(0, "Bond length table loaded successfully.");
-    } else {
-      ELOG(1, "Bond length table loading failed.");
-    }
-    input.close();
-  }
+  //if (boost::filesystem::exists(BondGraphFileName)) {
+  //  std::ifstream input(BondGraphFileName.c_str());
+  //  if ((input.good()) && (World::getInstance().getBondGraph()->LoadBondLengthTable(input))) {
+  //    LOG(0, "Bond length table loaded successfully.");
+  //  } else {
+  //    ELOG(1, "Bond length table loading failed.");
+  //  }
+  //  input.close();
+  //}
 
   // if we have python, autoexecute a molecuilder script in current folder