Changeset 56f73b for src/Descriptors

Timestamp:

Dec 23, 2010, 5:40:13 PM (15 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:

dc031c

Parents:

ad011c

git-author:

Frederik Heber <heber@…> (12/22/10 17:10:02)

git-committer:

Frederik Heber <heber@…> (12/23/10 17:40:13)

Message:

Added config.h also to all header files, code check test ascertain this in the future.

• as we want to use config.h to pass stuff such as MEMDEBUG, NDEBUG, LOG_OBSERVER, we have to make sure that it is present in each and every file.
• split up CodeChecks/testsuite.at: each test has its own .at file.

Location:

src/Descriptors

Files:

• AtomDescriptor.hpp (modified) (1 diff)
• AtomDescriptor_impl.hpp (modified) (1 diff)
• AtomIdDescriptor.hpp (modified) (1 diff)
• AtomIdDescriptor_impl.hpp (modified) (1 diff)
• AtomOfMoleculeSelectionDescriptor.hpp (modified) (1 diff)
• AtomOfMoleculeSelectionDescriptor_impl.hpp (modified) (1 diff)
• AtomSelectionDescriptor.hpp (modified) (1 diff)
• AtomSelectionDescriptor_impl.hpp (modified) (1 diff)
• AtomShapeDescriptor.hpp (modified) (1 diff)
• AtomShapeDescriptor_impl.hpp (modified) (1 diff)
• AtomTypeDescriptor.hpp (modified) (1 diff)
• AtomTypeDescriptor_impl.hpp (modified) (1 diff)
• DescriptorBase.hpp (modified) (1 diff)
• DescriptorBase_impl.hpp (modified) (1 diff)
• MoleculeDescriptor.hpp (modified) (1 diff)
• MoleculeDescriptor_impl.hpp (modified) (1 diff)
• MoleculeFormulaDescriptor.hpp (modified) (1 diff)
• MoleculeFormulaDescriptor_impl.hpp (modified) (1 diff)
• MoleculeIdDescriptor.hpp (modified) (1 diff)
• MoleculeIdDescriptor_impl.hpp (modified) (1 diff)
• MoleculeNameDescriptor.hpp (modified) (1 diff)
• MoleculeNameDescriptor_impl.hpp (modified) (1 diff)
• MoleculeOfAtomSelectionDescriptor.hpp (modified) (1 diff)
• MoleculeOfAtomSelectionDescriptor_impl.hpp (modified) (1 diff)
• MoleculeOrderDescriptor.hpp (modified) (1 diff)
• MoleculeOrderDescriptor_impl.hpp (modified) (1 diff)
• MoleculePtrDescriptor.hpp (modified) (1 diff)
• MoleculePtrDescriptor_impl.hpp (modified) (1 diff)
• MoleculeSelectionDescriptor.hpp (modified) (1 diff)
• MoleculeSelectionDescriptor_impl.hpp (modified) (1 diff)
• SelectiveIterator.hpp (modified) (1 diff)
• SelectiveIterator_impl.hpp (modified) (1 diff)
• unittests/AtomDescriptorUnitTest.hpp (modified) (1 diff)
• unittests/MoleculeDescriptorUnitTest.hpp (modified) (1 diff)

src/Descriptors/AtomDescriptor.hpp

@@ -8 +8 @@
 #ifndef ATOMDESCRIPTOR_HPP_
 #define ATOMDESCRIPTOR_HPP_
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 

src/Descriptors/AtomDescriptor_impl.hpp

@@ -1 +1 @@
 #ifndef ATOMDESCRIPTOR_IMPL_HPP
 #define ATOMDESCRIPTOR_IMPL_HPP
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Descriptors/AtomDescriptor.hpp"

src/Descriptors/AtomIdDescriptor.hpp

@@ -9 +9 @@
 #define ATOMIDDESCRIPTOR_HPP_
 
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+
 #include "Helpers/defs.hpp"
 #include "Descriptors/AtomDescriptor.hpp"

src/Descriptors/AtomIdDescriptor_impl.hpp

@@ -1 +1 @@
 #ifndef ATOMIDDESCRIPTOR_IMPL_HPP
 #define ATOMIDDESCRIPTOR_IMPL_HPP
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Descriptors/AtomDescriptor_impl.hpp"

src/Descriptors/AtomOfMoleculeSelectionDescriptor.hpp

@@ -9 +9 @@
 #define ATOMOFMOLECULESELECTIONDESCRIPTOR_HPP_
 
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+
 #include "Descriptors/AtomDescriptor.hpp"
 

src/Descriptors/AtomOfMoleculeSelectionDescriptor_impl.hpp

@@ -8 +8 @@
 #ifndef ATOMOFMOLECULESELECTIONDESCRIPTOR_IMPL_HPP_
 #define ATOMOFMOLECULESELECTIONDESCRIPTOR_IMPL_HPP_
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Descriptors/AtomDescriptor_impl.hpp"

src/Descriptors/AtomSelectionDescriptor.hpp

@@ -9 +9 @@
 #define ATOMSELECTIONDESCRIPTOR_HPP_
 
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+
 #include "Descriptors/AtomDescriptor.hpp"
 

src/Descriptors/AtomSelectionDescriptor_impl.hpp

@@ -8 +8 @@
 #ifndef ATOMSELECTIONDESCRIPTOR_IMPL_HPP_
 #define ATOMSELECTIONDESCRIPTOR_IMPL_HPP_
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Descriptors/AtomDescriptor_impl.hpp"

src/Descriptors/AtomShapeDescriptor.hpp

@@ -9 +9 @@
 #define ATOMSHAPEDESCRIPTOR_HPP_
 
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+
 #include "Helpers/defs.hpp"
 #include "Descriptors/AtomDescriptor.hpp"

src/Descriptors/AtomShapeDescriptor_impl.hpp

@@ -8 +8 @@
 #ifndef ATOMSHAPEDESCRIPTOR_IMPL_HPP_
 #define ATOMSHAPEDESCRIPTOR_IMPL_HPP_
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Descriptors/AtomDescriptor_impl.hpp"

src/Descriptors/AtomTypeDescriptor.hpp

@@ -9 +9 @@
 #define ATOMTYPEDESCRIPTOR_HPP
 
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+
 #include "Descriptors/AtomDescriptor.hpp"
 

src/Descriptors/AtomTypeDescriptor_impl.hpp

@@ -8 +8 @@
 #ifndef ATOMTYPEDESCRIPTOR_IMPL_HPP_
 #define ATOMTYPEDESCRIPTOR_IMPL_HPP_
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Descriptors/AtomDescriptor_impl.hpp"

src/Descriptors/DescriptorBase.hpp

@@ -8 +8 @@
 #ifndef DESCRIPTORBASE_HPP_
 #define DESCRIPTORBASE_HPP_
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include <vector>

src/Descriptors/DescriptorBase_impl.hpp

@@ -8 +8 @@
 #ifndef DESCRIPTORBASE_IMPL_HPP_
 #define DESCRIPTORBASE_IMPL_HPP_
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Descriptors/DescriptorBase.hpp"

src/Descriptors/MoleculeDescriptor.hpp

@@ -8 +8 @@
 #ifndef MOLECULEDESCRIPTOR_HPP_
 #define MOLECULEDESCRIPTOR_HPP_
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 

src/Descriptors/MoleculeDescriptor_impl.hpp

@@ -1 +1 @@
 #ifndef MOLECULEDESCRIPTOR_IMPL_HPP
 #define MOLECULEDESCRIPTOR_IMPL_HPP
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Descriptors/MoleculeDescriptor.hpp"

src/Descriptors/MoleculeFormulaDescriptor.hpp

@@ -9 +9 @@
 #define MOLECULEFORMULADESCRIPTOR_HPP_
 
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+
 #include "Descriptors/MoleculeDescriptor.hpp"
 #include "Exceptions/ParseError.hpp"

src/Descriptors/MoleculeFormulaDescriptor_impl.hpp

@@ -8 +8 @@
 #ifndef MOLECULEFORMULADESCRIPTOR_IMPL_HPP_
 #define MOLECULEFORMULADESCRIPTOR_IMPL_HPP_
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Descriptors/MoleculeDescriptor_impl.hpp"

src/Descriptors/MoleculeIdDescriptor.hpp

@@ -9 +9 @@
 #define MOLECULEIDDESCRIPTOR_HPP_
 
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+
 #include "Helpers/defs.hpp"
 #include "Descriptors/MoleculeDescriptor.hpp"

src/Descriptors/MoleculeIdDescriptor_impl.hpp

@@ -1 +1 @@
 #ifndef MOLECULEIDDESCRIPTOR_IMPL_HPP
 #define MOLECULEIDDESCRIPTOR_IMPL_HPP
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Descriptors/MoleculeDescriptor_impl.hpp"

src/Descriptors/MoleculeNameDescriptor.hpp

@@ -9 +9 @@
 #define MOLECULENAMEDESCRIPTOR_HPP_
 
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+
 #include "Helpers/defs.hpp"
 #include "Descriptors/MoleculeDescriptor.hpp"

src/Descriptors/MoleculeNameDescriptor_impl.hpp

@@ -1 +1 @@
 #ifndef MOLECULENAMEDESCRIPTOR_IMPL_HPP
 #define MOLECULENAMEDESCRIPTOR_IMPL_HPP
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Descriptors/MoleculeDescriptor_impl.hpp"

src/Descriptors/MoleculeOfAtomSelectionDescriptor.hpp

@@ -9 +9 @@
 #define MOLECULEOFATOMSELECTIONDESCRIPTOR_HPP_
 
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+
 #include "Descriptors/MoleculeDescriptor.hpp"
 

src/Descriptors/MoleculeOfAtomSelectionDescriptor_impl.hpp

@@ -8 +8 @@
 #ifndef MOLECULEOFATOMSELECTIONDESCRIPTOR_IMPL_HPP_
 #define MOLECULEOFATOMSELECTIONDESCRIPTOR_IMPL_HPP_
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Descriptors/MoleculeDescriptor_impl.hpp"

src/Descriptors/MoleculeOrderDescriptor.hpp

@@ -9 +9 @@
 #define MOLECULEORDERDESCRIPTOR_HPP_
 
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+
 #include "Helpers/defs.hpp"
 #include "Descriptors/MoleculeDescriptor.hpp"

src/Descriptors/MoleculeOrderDescriptor_impl.hpp

@@ -1 +1 @@
 #ifndef MOLECULEORDERDESCRIPTOR_IMPL_HPP
 #define MOLECULEORDERDESCRIPTOR_IMPL_HPP
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Descriptors/MoleculeDescriptor_impl.hpp"

src/Descriptors/MoleculePtrDescriptor.hpp

@@ -9 +9 @@
 #define MOLECULEPTRDESCRIPTOR_HPP_
 
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+
 #include "Helpers/defs.hpp"
 #include "Descriptors/MoleculeDescriptor.hpp"

src/Descriptors/MoleculePtrDescriptor_impl.hpp

@@ -1 +1 @@
 #ifndef MOLECULEPTRDESCRIPTOR_IMPL_HPP
 #define MOLECULEPTRDESCRIPTOR_IMPL_HPP
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Descriptors/MoleculeDescriptor_impl.hpp"

src/Descriptors/MoleculeSelectionDescriptor.hpp

@@ -9 +9 @@
 #define MOLECULESELECTIONDESCRIPTOR_HPP_
 
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+
 #include "Descriptors/MoleculeDescriptor.hpp"
 

src/Descriptors/MoleculeSelectionDescriptor_impl.hpp

@@ -8 +8 @@
 #ifndef MOLECULESELECTIONDESCRIPTOR_IMPL_HPP_
 #define MOLECULESELECTIONDESCRIPTOR_IMPL_HPP_
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Descriptors/MoleculeDescriptor_impl.hpp"

src/Descriptors/SelectiveIterator.hpp

@@ -8 +8 @@
 #ifndef SELECTIVEITERATOR_HPP_
 #define SELECTIVEITERATOR_HPP_
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include <iterator>

src/Descriptors/SelectiveIterator_impl.hpp

@@ -8 +8 @@
 #ifndef SELECTIVEITERATOR_IMPL_HPP_
 #define SELECTIVEITERATOR_IMPL_HPP_
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include "Helpers/helpers.hpp"

src/Descriptors/unittests/AtomDescriptorUnitTest.hpp

@@ -8 +8 @@
 #ifndef ATOMDESCRIPTORUNITTEST_HPP_
 #define ATOMDESCRIPTORUNITTEST_HPP_
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include <cppunit/extensions/HelperMacros.h>

src/Descriptors/unittests/MoleculeDescriptorUnitTest.hpp

@@ -8 +8 @@
 #ifndef MOLECULEDESCRIPTORTEST_HPP_
 #define MOLECULEDESCRIPTORTEST_HPP_
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 
 #include <cppunit/extensions/HelperMacros.h>