# # ChangeLog for molecuilder/src # # Generated by Trac 1.6 # Sep 22, 2025, 9:58:03 AM Thu, 25 Feb 2010 10:50:54 GMT Tillmann Crueger [a1a532] * molecuilder/src/Makefile.am (modified) * molecuilder/src/World.cpp (modified) * molecuilder/src/World.hpp (modified) * molecuilder/src/WorldIterators.cpp (added) moved Iterators for the World to a seperate file Thu, 25 Feb 2010 10:32:14 GMT Tillmann Crueger [bb89b9] * molecuilder/src/World.cpp (modified) * molecuilder/src/World.hpp (modified) * molecuilder/src/World_calculations.hpp (modified) Added overloaded methods for all methods in the world taking an ... Thu, 25 Feb 2010 10:18:50 GMT Tillmann Crueger [e7e088] * molecuilder/src/Descriptors/AtomDescriptor_impl.hpp (modified) * molecuilder/src/Descriptors/AtomIdDescriptor.cpp (modified) * molecuilder/src/Descriptors/AtomIdDescriptor_impl.hpp (modified) * molecuilder/src/Descriptors/AtomTypeDescriptor.cpp (added) * molecuilder/src/Descriptors/AtomTypeDescriptor.hpp (added) * molecuilder/src/Descriptors/AtomTypeDescriptor_impl.hpp (added) * molecuilder/src/Legacy/oldmenu.cpp (modified) * molecuilder/src/Makefile.am (modified) * molecuilder/src/atom_atominfo.cpp (modified) * molecuilder/src/atom_atominfo.hpp (modified) Added Descriptor that allows querying of atoms by their type Wed, 24 Feb 2010 16:44:58 GMT Tillmann Crueger [5bf941] * molecuilder/src/World.hpp (modified) Improved documentation of the World-class Wed, 24 Feb 2010 16:21:12 GMT Tillmann Crueger [7bfc19] * molecuilder/src/Legacy/oldmenu.cpp (modified) * molecuilder/src/Makefile.am (modified) * molecuilder/src/World.cpp (modified) * molecuilder/src/World.hpp (modified) * molecuilder/src/atom.cpp (modified) * molecuilder/src/atom.hpp (modified) * molecuilder/src/atom_particleinfo.cpp (modified) * molecuilder/src/atom_particleinfo.hpp (modified) * molecuilder/src/boundary.cpp (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/config.cpp (modified) * molecuilder/src/lists.cpp (added) * molecuilder/src/lists.hpp (modified) * molecuilder/src/molecule.cpp (modified) * molecuilder/src/moleculelist.cpp (modified) * molecuilder/src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * molecuilder/src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * molecuilder/src/unittests/DescriptorUnittest.cpp (modified) * molecuilder/src/unittests/DescriptorUnittest.hpp (modified) * molecuilder/src/unittests/Makefile.am (modified) * molecuilder/src/unittests/analysisbondsunittest.cpp (modified) * molecuilder/src/unittests/atomsCalculationTest.cpp (modified) * molecuilder/src/unittests/atomsCalculationTest.hpp (modified) * molecuilder/src/unittests/bondgraphunittest.cpp (modified) * molecuilder/src/unittests/listofbondsunittest.cpp (modified) * molecuilder/src/unittests/manipulateAtomsTest.cpp (modified) Made the world solely responsible for creating and destroying atoms. Fri, 19 Feb 2010 14:31:56 GMT Tillmann Crueger [01d28a] * molecuilder/src/Actions/AtomsCalculation.hpp (added) * molecuilder/src/Actions/AtomsCalculation_impl.hpp (added) * molecuilder/src/Actions/Calculation.hpp (modified) * molecuilder/src/Actions/Calculation_impl.hpp (modified) * molecuilder/src/World.hpp (modified) * molecuilder/src/World_calculations.hpp (added) * molecuilder/src/unittests/Makefile.am (modified) * molecuilder/src/unittests/atomsCalculationTest.cpp (added) * molecuilder/src/unittests/atomsCalculationTest.hpp (added) * molecuilder/src/unittests/manipulateAtomsTest.cpp (modified) Added templates that allow arbitrary calculations on atoms to be ... Fri, 19 Feb 2010 11:49:54 GMT Tillmann Crueger [9ef76a] * molecuilder/src/Actions/ManipulateAtomsProcess.cpp (modified) * molecuilder/src/Actions/ManipulateAtomsProcess.hpp (modified) * molecuilder/src/World.cpp (modified) * molecuilder/src/World.hpp (modified) * molecuilder/src/unittests/manipulateAtomsTest.cpp (modified) * molecuilder/src/unittests/manipulateAtomsTest.hpp (modified) Added a mechanism that allows the world to track changes done by the ... Fri, 19 Feb 2010 11:49:42 GMT Tillmann Crueger [5d4edf] * molecuilder/src/Actions/Calculation.hpp (added) * molecuilder/src/Actions/Calculation_impl.hpp (added) * molecuilder/src/Actions/Process.cpp (modified) * molecuilder/src/Actions/Process.hpp (modified) * molecuilder/src/Makefile.am (modified) * molecuilder/src/World.cpp (modified) * molecuilder/src/World.hpp (modified) * molecuilder/src/unittests/Makefile.am (modified) Added a class that allows constructing Processes that have a result Thu, 18 Feb 2010 16:46:07 GMT Tillmann Crueger [cbc27f] * molecuilder/src/Actions/ManipulateAtomsProcess.cpp (added) * molecuilder/src/Actions/ManipulateAtomsProcess.hpp (added) * molecuilder/src/unittests/manipulateAtomsTest.cpp (added) * molecuilder/src/unittests/manipulateAtomsTest.hpp (added) Added a method that allows manipulation of selected atoms Thu, 18 Feb 2010 13:21:35 GMT Tillmann Crueger [a5471c] * molecuilder/src/Descriptors/AtomDescriptor.hpp (modified) * molecuilder/src/Descriptors/AtomDescriptor_impl.hpp (modified) * molecuilder/src/Descriptors/AtomIdDescriptor_impl.hpp (modified) * molecuilder/src/World.cpp (modified) * molecuilder/src/World.hpp (modified) Added iterator structure that allows iterating over selected atoms in ... Thu, 18 Feb 2010 10:59:29 GMT Tillmann Crueger [b53a7e] * molecuilder/src/Actions/Process.cpp (added) * molecuilder/src/Actions/Process.hpp (added) * molecuilder/src/Actions/small_actions.hpp (modified) * molecuilder/src/Makefile.am (modified) * molecuilder/src/World.cpp (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/helpers.hpp (modified) Added a special class of Actions that take some time. Tue, 16 Feb 2010 17:26:59 GMT Tillmann Crueger [120f8b] * molecuilder/src/World.cpp (modified) * molecuilder/src/World.hpp (modified) * molecuilder/src/builder.cpp (modified) Moved control of molecules and periode to World. Tue, 16 Feb 2010 16:24:07 GMT Tillmann Crueger [323177] * molecuilder/src/Descriptors/AtomDescriptor.cpp (modified) * molecuilder/src/Descriptors/AtomDescriptor.hpp (modified) * molecuilder/src/Descriptors/AtomDescriptor_impl.hpp (added) * molecuilder/src/Descriptors/AtomIdDescriptor.cpp (modified) * molecuilder/src/Descriptors/AtomIdDescriptor.hpp (modified) * molecuilder/src/Descriptors/AtomIdDescriptor_impl.hpp (added) * molecuilder/src/World.cpp (modified) * molecuilder/src/World.hpp (modified) * molecuilder/src/atom_particleinfo.hpp (modified) * molecuilder/src/unittests/DescriptorUnittest.cpp (added) * molecuilder/src/unittests/DescriptorUnittest.hpp (added) * molecuilder/src/unittests/Makefile.am (modified) Rebuilt AtomDescriptors using PIMPL-Idiom and added unittest for ... Mon, 08 Feb 2010 16:23:03 GMT Tillmann Crueger [973c03] * molecuilder/src/Descriptors/AtomDescriptor.cpp (modified) * molecuilder/src/Descriptors/AtomDescriptor.hpp (modified) * molecuilder/src/Descriptors/AtomIdDescriptor.cpp (modified) * molecuilder/src/Descriptors/AtomIdDescriptor.hpp (modified) Improved Descriptor mechanism to allow calculations using descriptors. Fri, 05 Feb 2010 16:26:18 GMT Tillmann Crueger [86b917] * molecuilder/src/Descriptors/AtomDescriptor.cpp (added) * molecuilder/src/Descriptors/AtomDescriptor.hpp (added) * molecuilder/src/Descriptors/AtomIdDescriptor.cpp (added) * molecuilder/src/Descriptors/AtomIdDescriptor.hpp (added) * molecuilder/src/Makefile.am (modified) * molecuilder/src/World.cpp (modified) * molecuilder/src/World.hpp (modified) Added descriptors that allow multiple kinds of access to atoms Fri, 05 Feb 2010 15:19:27 GMT Tillmann Crueger [d2d8f5] * molecuilder/src/Makefile.am (modified) * molecuilder/src/World.cpp (modified) * molecuilder/src/World.hpp (modified) * molecuilder/src/atom.cpp (modified) * molecuilder/src/atom_particleinfo.cpp (modified) * molecuilder/src/atom_particleinfo.hpp (modified) Made all atoms register themselves with the world upon creation Fri, 05 Feb 2010 14:59:41 GMT Tillmann Crueger [42918b] * molecuilder/configure.ac (modified) * molecuilder/m4/m4_ax_boost_thread.m4 (added) * molecuilder/src/Makefile.am (modified) * molecuilder/src/World.cpp (modified) * molecuilder/src/World.hpp (modified) * molecuilder/src/unittests/Makefile.am (modified) Fixed some problems with the usage of Boost::threads Fri, 05 Feb 2010 13:01:57 GMT Tillmann Crueger [181488] * molecuilder/src/Legacy/oldmenu.cpp (moved) * molecuilder/src/Legacy/oldmenu.hpp (moved) * molecuilder/src/Makefile.am (modified) * molecuilder/src/UIElements/TextWindow.cpp (modified) Added a directory to quarantine files that should be completely ... Fri, 05 Feb 2010 12:43:39 GMT Tillmann Crueger [b9f422] * molecuilder/src/Patterns/Observer.hpp (modified) Made the Observer RAII-Pattern more secure. Wed, 03 Feb 2010 16:42:06 GMT Tillmann Crueger [8501eb] * molecuilder/src/Patterns/Observer.hpp (modified) * molecuilder/src/molecule.cpp (modified) * molecuilder/src/moleculelist.cpp (modified) * molecuilder/src/unittests/CacheableTest.cpp (modified) Changed all observed places to new observer structure Wed, 03 Feb 2010 16:31:45 GMT Tillmann Crueger [bc1fbf] * molecuilder/src/Patterns/Observer.cpp (modified) * molecuilder/src/Patterns/Observer.hpp (modified) * molecuilder/src/unittests/ObserverTest.cpp (modified) Changed Observer to use RAII-style for locking changes. Wed, 03 Feb 2010 16:02:14 GMT Tillmann Crueger [2e8296] * molecuilder/src/Makefile.am (modified) * molecuilder/src/World.cpp (added) * molecuilder/src/World.hpp (added) Started development of World Class Wed, 03 Feb 2010 14:13:18 GMT Tillmann Crueger [ef4966] * molecuilder/src/Patterns/Cacheable.hpp (modified) Assigned best priority to cached values. Wed, 03 Feb 2010 14:11:10 GMT Tillmann Crueger [bb9503] * molecuilder/src/Patterns/Observer.cpp (modified) * molecuilder/src/Patterns/Observer.hpp (modified) Added mechanism that allows for assign priorities to observers Tue, 02 Feb 2010 16:46:29 GMT Tillmann Crueger [4272f0] * molecuilder/src/Makefile.am (modified) * molecuilder/src/Patterns/Cacheable.hpp (modified) Added possibility to disable caching mechanism at compile time Tue, 02 Feb 2010 16:22:22 GMT Tillmann Crueger [8fc9b6] * molecuilder/src/Patterns/Observer.hpp (modified) * molecuilder/src/molecule.cpp (modified) Made more methods of the molecule observable Tue, 02 Feb 2010 15:53:04 GMT Tillmann Crueger [f1ef9cc] * molecuilder/src/molecule.cpp (modified) * molecuilder/src/molecule.hpp (modified) Added simple way to retrieve formula of a molecule using caching Tue, 02 Feb 2010 15:35:09 GMT Tillmann Crueger [d0c7ec] * molecuilder/src/Makefile.am (modified) * molecuilder/src/Patterns/Cacheable.hpp (added) * molecuilder/src/unittests/CacheableTest.cpp (added) * molecuilder/src/unittests/CacheableTest.hpp (added) * molecuilder/src/unittests/Makefile.am (modified) Added data structure to allow caching of derived values Tue, 02 Feb 2010 12:22:06 GMT Tillmann Crueger [4bb871a] * molecuilder/src/analysis_correlation.cpp (modified) * molecuilder/src/analysis_correlation.hpp (modified) * molecuilder/src/atom_bondedparticle.cpp (modified) * molecuilder/src/atom_bondedparticle.hpp (modified) * molecuilder/src/boundary.cpp (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/molecule.hpp (modified) * molecuilder/src/molecule_graph.cpp (modified) * util/src/NanoCreator.c (modified) * util/src/NanoCreator.h (modified) Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring Tue, 02 Feb 2010 12:21:13 GMT Tillmann Crueger [adcdf8] * molecuilder/src/Actions/small_actions.cpp (modified) * molecuilder/src/molecule.cpp (modified) * molecuilder/src/molecule.hpp (modified) * molecuilder/src/moleculelist.cpp (modified) Moved method to rename molecules to a seperate Action Tue, 02 Feb 2010 12:14:54 GMT Tillmann Crueger [795b4d] * molecuilder/src/Actions/Action.hpp (modified) * molecuilder/src/Actions/small_actions.cpp (added) * molecuilder/src/Actions/small_actions.hpp (added) * molecuilder/src/Makefile.am (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/molecule.hpp (modified) * molecuilder/src/moleculelist.cpp (modified) Moved method to rename molecules to a seperate Action Tue, 02 Feb 2010 12:00:19 GMT Tillmann Crueger [6997fa] * molecuilder/src/Makefile.am (modified) * molecuilder/src/Patterns/Observer.hpp (modified) * molecuilder/src/molecule.hpp (modified) * molecuilder/src/moleculelist.cpp (modified) * molecuilder/src/unittests/ObserverTest.cpp (modified) * molecuilder/src/unittests/ObserverTest.hpp (modified) Added a view that displays all molecules using a QTableWidget Tue, 02 Feb 2010 11:52:04 GMT Tillmann Crueger [03d7ac] * molecuilder/src/Makefile.am (modified) * molecuilder/src/Patterns/Observer.cpp (added) * molecuilder/src/Patterns/Observer.hpp (added) * molecuilder/src/unittests/Makefile.am (modified) * molecuilder/src/unittests/ObserverTest.cpp (added) * molecuilder/src/unittests/ObserverTest.hpp (added) Added generic observer pattern framework. (cherry picked from commit ... Tue, 02 Feb 2010 09:43:52 GMT Frederik Heber [6d0fcaa] * molecuilder/src/atom_bondedparticle.cpp (modified) * molecuilder/src/atom_bondedparticle.hpp (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/molecule.hpp (modified) * molecuilder/src/molecule_graph.cpp (modified) Possibility to store all bonds to file added. So far we only could ... Sat, 30 Jan 2010 19:00:47 GMT Frederik Heber [1c7aed] * molecuilder/src/analysis_correlation.cpp (modified) * molecuilder/src/analysis_correlation.hpp (modified) Output....Correlation() don't prepend header line with '#', BinData() ... Sat, 30 Jan 2010 18:04:05 GMT Frederik Heber [14c0f0] * molecuilder/src/boundary.cpp (modified) FIX: FillBoxWithMolecule() - seed of random number generator was not ... Sat, 30 Jan 2010 17:35:48 GMT Frederik Heber [8d0b25] * molecuilder/src/builder.cpp (modified) Added output of surfacemap in ParseCommandLineOptions(), case 'C' again. Thu, 28 Jan 2010 13:54:35 GMT Tillmann Crueger [dbd19f] * molecuilder/src/UIElements/Dialog.cpp (modified) * molecuilder/src/UIElements/Dialog.hpp (modified) * molecuilder/src/UIElements/TextDialog.cpp (modified) * molecuilder/src/UIElements/TextDialog.hpp (modified) * molecuilder/src/vector.cpp (modified) * molecuilder/src/vector.hpp (modified) Added possibility to query doubles and vectors using dialogs. Wed, 27 Jan 2010 14:36:09 GMT Tillmann Crueger [d34341] * .gitignore (modified) * molecuilder/src/Makefile.am (modified) * molecuilder/src/analysis_correlation.cpp (modified) * molecuilder/src/analysis_correlation.hpp (modified) * molecuilder/src/analyzer.cpp (modified) * molecuilder/src/bondgraph.cpp (modified) * molecuilder/src/boundary.cpp (modified) * molecuilder/src/boundary.hpp (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/config.cpp (modified) * molecuilder/src/gslmatrix.cpp (added) * molecuilder/src/gslmatrix.hpp (added) * molecuilder/src/gslvector.cpp (added) * molecuilder/src/gslvector.hpp (added) * molecuilder/src/helpers.hpp (modified) * molecuilder/src/joiner.cpp (modified) * molecuilder/src/linearsystemofequations.cpp (added) * molecuilder/src/linearsystemofequations.hpp (added) * molecuilder/src/memoryallocator.hpp (modified) * molecuilder/src/memoryusageobserver.cpp (modified) * molecuilder/src/molecule.cpp (modified) * molecuilder/src/molecule.hpp (modified) * molecuilder/src/molecule_dynamics.cpp (modified) * molecuilder/src/molecule_fragmentation.cpp (modified) * molecuilder/src/molecule_geometry.cpp (modified) * molecuilder/src/molecule_pointcloud.cpp (modified) * molecuilder/src/moleculelist.cpp (modified) * molecuilder/src/parser.cpp (modified) * molecuilder/src/periodentafel.cpp (modified) * molecuilder/src/tesselation.cpp (modified) * molecuilder/src/tesselation.hpp (modified) * molecuilder/src/tesselationhelpers.cpp (modified) * molecuilder/src/tesselationhelpers.hpp (modified) * molecuilder/src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * molecuilder/src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * molecuilder/src/unittests/Makefile.am (modified) * molecuilder/src/unittests/analysisbondsunittest.cpp (modified) * molecuilder/src/unittests/bondgraphunittest.cpp (modified) * molecuilder/src/unittests/gslmatrixsymmetricunittest.cpp (added) * molecuilder/src/unittests/gslmatrixsymmetricunittest.hpp (added) * molecuilder/src/unittests/gslmatrixunittest.cpp (added) * molecuilder/src/unittests/gslmatrixunittest.hpp (added) * molecuilder/src/unittests/gslvectorunittest.cpp (added) * molecuilder/src/unittests/gslvectorunittest.hpp (added) * molecuilder/src/unittests/linearsystemofequationsunittest.cpp (added) * molecuilder/src/unittests/linearsystemofequationsunittest.hpp (added) * molecuilder/src/unittests/listofbondsunittest.cpp (modified) * molecuilder/src/unittests/tesselation_boundarytriangleunittest.cpp (added) * molecuilder/src/unittests/tesselation_boundarytriangleunittest.hpp (added) * molecuilder/src/unittests/tesselation_insideoutsideunittest.cpp (added) * molecuilder/src/unittests/tesselation_insideoutsideunittest.hpp (added) * molecuilder/src/unittests/tesselationunittest.cpp (modified) * molecuilder/src/unittests/tesselationunittest.hpp (modified) * molecuilder/src/vector.cpp (modified) * molecuilder/src/version.h (added) * molecuilder/tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified) * molecuilder/tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified) * molecuilder/tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified) * molecuilder/tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified) * molecuilder/tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified) * molecuilder/tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified) * pcp/src/version.h (added) * util/src/Makefile.am (modified) * util/src/version.h (added) Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring ... Tue, 26 Jan 2010 12:52:31 GMT Frederik Heber [478683] * molecuilder/src/analysis_correlation.cpp (modified) * molecuilder/src/analysis_correlation.hpp (modified) * molecuilder/src/bondgraph.cpp (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/molecule.hpp (modified) * molecuilder/src/moleculelist.cpp (modified) * molecuilder/src/parser.cpp (modified) * molecuilder/src/tesselation.cpp (modified) * molecuilder/src/tesselation.hpp (modified) GetDistanceToSurface() separated, filling now with water instead of ... Tue, 26 Jan 2010 12:45:41 GMT Tillmann Crueger [41182a] * .gitignore (modified) * Makefile.am (modified) * molecuilder/src/Makefile.am (modified) * molecuilder/src/atom_bondedparticle.cpp (modified) * molecuilder/src/bondgraph.cpp (modified) * molecuilder/src/boundary.cpp (modified) * molecuilder/src/boundary.hpp (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/config.cpp (modified) * molecuilder/src/info.cpp (added) * molecuilder/src/info.hpp (added) * molecuilder/src/molecule.hpp (modified) * molecuilder/src/molecule_graph.cpp (modified) * molecuilder/src/molecule_pointcloud.cpp (modified) * molecuilder/src/moleculelist.cpp (modified) * molecuilder/src/parser.cpp (modified) * molecuilder/src/tesselation.cpp (modified) * molecuilder/src/tesselation.hpp (modified) * molecuilder/src/tesselationhelpers.cpp (modified) * molecuilder/src/tesselationhelpers.hpp (modified) * molecuilder/src/unittests/Makefile.am (modified) * molecuilder/src/unittests/infounittest.cpp (added) * molecuilder/src/unittests/infounittest.hpp (added) * molecuilder/src/vector.cpp (modified) * molecuilder/src/vector.hpp (modified) * molecuilder/src/verbose.cpp (modified) * molecuilder/tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat (modified) * molecuilder/tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat (modified) * molecuilder/tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat (modified) * molecuilder/tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat (modified) * molecuilder/tests/Tesselations/Makefile.am (modified) * molecuilder/tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat (modified) * molecuilder/tests/Tesselations/benzene.test (added) * molecuilder/tests/Tesselations/benzene/NonConvexEnvelope-benzene.dat (added) * molecuilder/tests/Tesselations/benzene/benzene.xyz (added) * molecuilder/tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat (modified) * molecuilder/tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat (modified) * molecuilder/tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat (modified) * molecuilder/tests/Tesselations/defs.in (modified) * molecuilder/tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat (modified) * molecuilder/tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat (modified) * molecuilder/tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat (modified) * molecuilder/tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat (modified) * molecuilder/tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat (modified) * molecuilder/tests/Tesselations/proline/NonConvexEnvelope-proline.dat (modified) * molecuilder/tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat (modified) * molecuilder/tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat (modified) * molecuilder/tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat (modified) * molecuilder/tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified) * molecuilder/tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified) * molecuilder/tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified) * molecuilder/tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified) * molecuilder/tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified) * molecuilder/tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified) * molecuilder/tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified) * molecuilder/tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified) * molecuilder/tests/testsuite.at (modified) * pcp/src/Makefile.am (modified) * pcp/src/pcp.c (modified) * util/src/CreateGaAs.c (modified) * util/src/CreateH2.c (modified) * util/src/GetPdb.c (modified) * util/src/Makefile.am (modified) * util/src/NanoCreator.c (modified) * util/src/ReadSrcIon.c (modified) * util/src/VibrAlyzer.c (modified) * util/src/average.cpp (modified) * util/src/diagonalize.c (modified) * util/src/stochastik.cpp (modified) Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring ... Tue, 26 Jan 2010 12:41:04 GMT Frederik Heber [551a58] * .gitignore (modified) * molecuilder/src/version.h (added) * pcp/src/version.h (added) * util/src/version.h (added) Merge branch 'FixVersioning3' into Analysis_PairCorrelation Tue, 26 Jan 2010 12:32:00 GMT Frederik Heber [0af58f] * .gitignore (modified) * molecuilder/src/version.h (added) * pcp/src/version.h (added) * util/src/version.h (added) Fixed versioning. - FIX: version.h was falsely excluded in ... Thu, 14 Jan 2010 18:06:40 GMT Frederik Heber [591f15] * molecuilder/src/tesselation.cpp (modified) BUGFIX: Tesselation::IsInnerPoint() returned wrong result. - We ... Thu, 14 Jan 2010 17:46:24 GMT Frederik Heber [a922f3] * molecuilder/src/helpers.hpp (modified) Merge branch 'FixTemplatedMinMax' into FixFillingWithMolecule Thu, 14 Jan 2010 17:45:22 GMT Frederik Heber [1ec554] * molecuilder/src/helpers.hpp (modified) Rather use parameter passing by value instead of reference. - We ... Thu, 14 Jan 2010 17:43:34 GMT Frederik Heber [a34fab] * molecuilder/src/unittests/Makefile.am (modified) * molecuilder/src/unittests/tesselation_boundarytriangleunittest.cpp (added) * molecuilder/src/unittests/tesselation_boundarytriangleunittest.hpp (added) Unit test for BoundaryTriangleSet member functions added. - for now ... Thu, 14 Jan 2010 17:36:09 GMT Frederik Heber [1aa2a5] * molecuilder/src/boundary.cpp (modified) * molecuilder/src/boundary.hpp (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/tesselation.cpp (modified) * molecuilder/src/tesselation.hpp (modified) FillBoxWithMolecule now allows boundary between filler molecules and ... Thu, 14 Jan 2010 17:32:47 GMT Frederik Heber [252790] * molecuilder/src/vector.cpp (modified) Changed verbosity for Vector::GetIntersectionWithPlane(). - when ... Thu, 14 Jan 2010 13:49:42 GMT Tillmann Crueger [931903] * molecuilder/src/menu.cpp (modified) Made embeddMolecules menu-point use the new dialog framework Wed, 13 Jan 2010 14:01:55 GMT Frederik Heber [249522] * molecuilder/src/tesselation.cpp (modified) FillWithMolecule() is now working correctly. - FillWithMolecule() ... Wed, 13 Jan 2010 14:01:30 GMT Frederik Heber [3dea05] * molecuilder/src/helpers.hpp (modified) Templated Min and Max functions added. Signed-off-by: Frederik ... Wed, 13 Jan 2010 14:00:14 GMT Frederik Heber [8a34e69] * molecuilder/src/boundary.cpp (modified) Boolean return value of Tesselation::IsInnerPoint in ... Wed, 13 Jan 2010 13:37:01 GMT Frederik Heber [49d3e1e] * molecuilder/src/tesselationhelpers.cpp (modified) * molecuilder/tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified) * molecuilder/tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified) * molecuilder/tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified) * molecuilder/tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified) * molecuilder/tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified) * molecuilder/tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified) Small fixes to make checks working again. - Tesselations tests 13 ... Wed, 13 Jan 2010 11:05:17 GMT Tillmann Crueger [1630ce] * molecuilder/src/menu.cpp (modified) Used new Query Infrastructure for SimpleAdd menupoint Wed, 13 Jan 2010 11:05:02 GMT Tillmann Crueger [3896fc] * molecuilder/src/UIElements/Dialog.cpp (modified) * molecuilder/src/UIElements/Dialog.hpp (modified) * molecuilder/src/UIElements/TextDialog.cpp (modified) * molecuilder/src/UIElements/TextDialog.hpp (modified) Added infrastructure to query molecules from MoleculeList Wed, 13 Jan 2010 10:22:29 GMT Tillmann Crueger [f89c1c] * molecuilder/src/UIElements/Dialog.cpp (modified) * molecuilder/src/UIElements/Dialog.hpp (modified) * molecuilder/src/UIElements/TextDialog.cpp (modified) * molecuilder/src/UIElements/TextDialog.hpp (modified) * molecuilder/src/builder.cpp (modified) Changed dialog structure to use objects for queries. Mon, 11 Jan 2010 10:40:20 GMT Tillmann Crueger [c489d9] * molecuilder/src/menu.cpp (modified) * molecuilder/src/menu.hpp (modified) Removed some unessecary methods from oldMenu Mon, 11 Jan 2010 09:35:52 GMT Frederik Heber [afa056] * molecuilder/src/boundary.cpp (modified) * molecuilder/src/boundary.hpp (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/tesselation.cpp (modified) * molecuilder/src/tesselation.hpp (modified) Removed unnecessary epsilon parameter. - epsilon before was used as ... Mon, 11 Jan 2010 09:16:36 GMT Frederik Heber [91b1e79] * molecuilder/src/tesselation.cpp (modified) * molecuilder/src/vector.cpp (modified) Fixed Tesselation::IsInnerPoint() - Both unit tests ... Mon, 11 Jan 2010 03:06:30 GMT Frederik Heber [d403a1] * molecuilder/src/tesselation.cpp (modified) * molecuilder/src/vector.cpp (modified) InsideOutside unit test of tesselation is working correctly. - FIX: ... Mon, 11 Jan 2010 03:04:59 GMT Frederik Heber [23f6ec] * molecuilder/src/unittests/tesselation_insideoutsideunittest.cpp (modified) BUGFIX - Test was wrong in upper bounds of inside area. - upper ... Sun, 10 Jan 2010 19:25:50 GMT Frederik Heber [9291f85] * molecuilder/src/gslmatrix.cpp (modified) * molecuilder/src/unittests/gslmatrixsymmetricunittest.cpp (modified) Added Determinant() function to class GSLMatrix. - new function ... Sun, 10 Jan 2010 19:24:58 GMT Frederik Heber [7b991d] * molecuilder/src/gslvector.cpp (modified) FIX - GSLVector::Set() return value was double instead of void. ... Sun, 10 Jan 2010 19:24:02 GMT Frederik Heber [ac6b65] * molecuilder/src/vector.cpp (modified) Vector::GetIntersectionOfTwoLinesOnPlane() rewritten. Use routine ... Sun, 10 Jan 2010 19:15:01 GMT Frederik Heber [901774] * molecuilder/src/unittests/Makefile.am (modified) libgslwrapper.a added to LDADD of most tests. Since Vector class ... Sun, 10 Jan 2010 19:12:40 GMT Frederik Heber [51a8a1] * molecuilder/src/tesselationhelpers.cpp (modified) BUGFIX - GetCenterOfSphere(): condition were not put correctly in ... Sun, 10 Jan 2010 19:10:52 GMT Frederik Heber [00b5802] * molecuilder/src/molecule_dynamics.cpp (modified) BUGFIX - molecule::MinimiseConstrainedPotential() OldPotential was ... Sun, 10 Jan 2010 19:09:56 GMT Frederik Heber [70e11d] * molecuilder/src/gslmatrix.hpp (modified) * molecuilder/src/gslvector.hpp (modified) * molecuilder/src/linearsystemofequations.hpp (modified) Inclusion of config.h was missing. This caused a bug with GSL's ... Sun, 10 Jan 2010 19:09:14 GMT Frederik Heber [2c69a9] * molecuilder/src/memoryallocator.hpp (modified) * molecuilder/src/memoryusageobserver.cpp (modified) cstdlib header was missing, necessary for free, malloc and calloc ... Sun, 10 Jan 2010 19:05:34 GMT Frederik Heber [e6fe8a] * molecuilder/src/analyzer.cpp (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/config.cpp (modified) * molecuilder/src/joiner.cpp (modified) * molecuilder/src/molecule.cpp (modified) * molecuilder/src/molecule_fragmentation.cpp (modified) * molecuilder/src/moleculelist.cpp (modified) * molecuilder/src/parser.cpp (modified) * molecuilder/src/periodentafel.cpp (modified) * molecuilder/src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * molecuilder/src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * molecuilder/src/unittests/analysisbondsunittest.cpp (modified) * molecuilder/src/unittests/bondgraphunittest.cpp (modified) * molecuilder/src/unittests/listofbondsunittest.cpp (modified) * molecuilder/src/unittests/tesselation_insideoutsideunittest.cpp (modified) * molecuilder/src/unittests/tesselationunittest.cpp (modified) cstring header was missing in files, supplying definition of strlen, ... Sat, 09 Jan 2010 11:30:49 GMT Tillmann Crueger [d97af9] * molecuilder/src/Actions/ActionRegistry.cpp (modified) * molecuilder/src/UIElements/MainWindow.hpp (modified) * molecuilder/src/UIElements/TextUIFactory.cpp (modified) * molecuilder/src/UIElements/TextUIFactory.hpp (modified) * molecuilder/src/UIElements/TextWindow.cpp (modified) * molecuilder/src/UIElements/TextWindow.hpp (modified) * molecuilder/src/UIElements/UIFactory.hpp (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/menu.cpp (modified) * molecuilder/src/menu.hpp (modified) Seperated building of mainWindow and contained Menus - Moved code ... Fri, 08 Jan 2010 17:48:35 GMT Frederik Heber [247d49] * molecuilder/src/Makefile.am (modified) * molecuilder/src/linearsystemofequations.cpp (added) * molecuilder/src/linearsystemofequations.hpp (added) * molecuilder/src/unittests/Makefile.am (modified) * molecuilder/src/unittests/linearsystemofequationsunittest.cpp (added) * molecuilder/src/unittests/linearsystemofequationsunittest.hpp (added) Wrapper class for gsl_linalg along with working Unit test. - new ... Fri, 08 Jan 2010 17:46:51 GMT Frederik Heber [e651e7] * molecuilder/src/Makefile.am (modified) * molecuilder/src/gslmatrix.cpp (added) * molecuilder/src/gslmatrix.hpp (added) * molecuilder/src/unittests/Makefile.am (modified) * molecuilder/src/unittests/gslmatrixsymmetricunittest.cpp (added) * molecuilder/src/unittests/gslmatrixsymmetricunittest.hpp (added) * molecuilder/src/unittests/gslmatrixunittest.cpp (added) * molecuilder/src/unittests/gslmatrixunittest.hpp (added) Wrapper class for gsl_matrix along with working Unit test. - new ... Fri, 08 Jan 2010 17:44:51 GMT Frederik Heber [22b47e] * molecuilder/src/Makefile.am (modified) * molecuilder/src/gslvector.cpp (added) * molecuilder/src/gslvector.hpp (added) * molecuilder/src/unittests/Makefile.am (modified) * molecuilder/src/unittests/gslvectorunittest.cpp (added) * molecuilder/src/unittests/gslvectorunittest.hpp (added) Wrapper class for gsl_vector along with working Unit test. - new ... Fri, 08 Jan 2010 14:04:22 GMT Frederik Heber [a1acc5] * molecuilder/src/tesselation.cpp (modified) * molecuilder/src/tesselation.hpp (modified) * molecuilder/src/unittests/tesselation_insideoutsideunittest.cpp (modified) * molecuilder/src/vector.cpp (modified) Attempt to fix the tesselation::IsInnerPoint(). We try the ... Thu, 07 Jan 2010 14:46:34 GMT Tillmann Crueger [3e8325] * molecuilder/src/Actions/Action.cpp (modified) * molecuilder/src/Actions/Action.hpp (modified) * molecuilder/src/Actions/ActionRegistry.cpp (added) * molecuilder/src/Actions/ActionRegistry.hpp (added) * molecuilder/src/Actions/ErrorAction.cpp (modified) * molecuilder/src/Actions/ErrorAction.hpp (modified) * molecuilder/src/Actions/MakroAction.cpp (modified) * molecuilder/src/Actions/MakroAction.hpp (modified) * molecuilder/src/Actions/MethodAction.cpp (modified) * molecuilder/src/Actions/MethodAction.hpp (modified) * molecuilder/src/Makefile.am (modified) * molecuilder/src/UIElements/TextUIFactory.cpp (modified) * molecuilder/src/UIElements/TextUIFactory.hpp (modified) * molecuilder/src/UIElements/TextWindow.cpp (modified) * molecuilder/src/UIElements/UIFactory.cpp (modified) * molecuilder/src/UIElements/UIFactory.hpp (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/menu.cpp (modified) * molecuilder/src/unittests/ActionSequenceTest.cpp (modified) Added a central registry that allows access to actions by name. Thu, 07 Jan 2010 13:24:06 GMT Tillmann Crueger [34ff5e6] * molecuilder/src/UIElements/MainWindow.cpp (added) * molecuilder/src/UIElements/MainWindow.hpp (added) * molecuilder/src/UIElements/TextWindow.cpp (added) * molecuilder/src/UIElements/TextWindow.hpp (added) Added support for creating a main window using the UIFactory. Tue, 05 Jan 2010 15:34:52 GMT Tillmann Crueger [6d21bd] * molecuilder/src/Makefile.am (modified) * molecuilder/src/UIElements/Dialog.cpp (added) * molecuilder/src/UIElements/Dialog.hpp (added) * molecuilder/src/UIElements/TextDialog.cpp (added) * molecuilder/src/UIElements/TextDialog.hpp (added) * molecuilder/src/UIElements/TextUIFactory.cpp (added) * molecuilder/src/UIElements/TextUIFactory.hpp (added) * molecuilder/src/UIElements/UIFactory.cpp (added) * molecuilder/src/UIElements/UIFactory.hpp (added) Added Basis for creating globally accessible and compatible ... Tue, 05 Jan 2010 13:48:05 GMT Tillmann Crueger [53f5e6] * molecuilder/src/Actions/ErrorAction.cpp (modified) * molecuilder/src/Actions/ErrorAction.hpp (modified) * molecuilder/src/menu.cpp (modified) Transitioned MergeMolecule Menu to new menu structure Tue, 05 Jan 2010 10:11:52 GMT Tillmann Crueger [70c4aa6] * molecuilder/src/Actions/ErrorAction.cpp (added) * molecuilder/src/Actions/ErrorAction.hpp (added) * molecuilder/src/Makefile.am (modified) * molecuilder/src/menu.cpp (modified) * molecuilder/src/menu.hpp (modified) Extracted all methods from MergeMolecules Menu - Added new action ... Tue, 05 Jan 2010 09:23:25 GMT Tillmann Crueger [538744] * molecuilder/src/builder.cpp (modified) * molecuilder/src/config.cpp (modified) * molecuilder/src/config.hpp (modified) * molecuilder/src/menu.cpp (modified) * molecuilder/src/menu.hpp (modified) Moved saveConfig method from oldmenu to a method inside config class Sat, 02 Jan 2010 15:53:39 GMT Tillmann Crueger [16f86d] * molecuilder/src/menu.cpp (modified) * molecuilder/src/menu.hpp (modified) Removed unecessary method stubs from oldmenu class Sat, 02 Jan 2010 15:49:40 GMT Tillmann Crueger [f48622] * molecuilder/src/menu.cpp (modified) * molecuilder/src/molecule.hpp (modified) * molecuilder/src/moleculelist.cpp (modified) Moved several Methods from Menu to MoleculeListClass Sat, 02 Jan 2010 15:28:29 GMT Tillmann Crueger [c7dcff] * molecuilder/src/menu.cpp (modified) * molecuilder/src/menu.hpp (modified) Made EditMoleculesMenu a Submenu inside the MainMenu Sat, 02 Jan 2010 15:18:00 GMT Tillmann Crueger [1f137d] * molecuilder/src/Menu/TextMenu.cpp (modified) * molecuilder/src/menu.cpp (modified) Transitioned EditMoleculesMenu to new menu structure Tue, 29 Dec 2009 14:48:49 GMT Frederik Heber [eda56a] * molecuilder/src/analysis_correlation.cpp (modified) * molecuilder/src/tesselation.cpp (modified) * molecuilder/src/tesselation.hpp (modified) * molecuilder/src/unittests/Makefile.am (modified) * molecuilder/src/unittests/tesselation_insideoutsideunittest.cpp (added) * molecuilder/src/unittests/tesselation_insideoutsideunittest.hpp (added) * molecuilder/src/unittests/tesselationunittest.cpp (modified) * molecuilder/src/unittests/tesselationunittest.hpp (modified) Changes to FindClosest...ToVector() and use of ..Map,..Set,..List ... Tue, 29 Dec 2009 12:56:55 GMT Tillmann Crueger [077f6e] * molecuilder/src/menu.cpp (modified) * molecuilder/src/menu.hpp (modified) Extracted several methods from the EditMolecules Submenu. Tue, 29 Dec 2009 12:20:20 GMT Tillmann Crueger [aa117c] * molecuilder/src/Menu/DisplayMenuItem.cpp (modified) * molecuilder/src/Menu/DisplayMenuItem.hpp (modified) * molecuilder/src/Menu/MenuItem.cpp (modified) * molecuilder/src/Menu/MenuItem.hpp (modified) * molecuilder/src/Menu/SeperatorItem.cpp (modified) * molecuilder/src/Menu/SeperatorItem.hpp (modified) * molecuilder/src/Menu/TextMenu.cpp (modified) * molecuilder/src/Menu/TextMenu.hpp (modified) Added possibility to add default Items to textMenus Tue, 29 Dec 2009 11:57:09 GMT Tillmann Crueger [fab853] * molecuilder/src/menu.cpp (modified) * molecuilder/src/menu.hpp (modified) * molecuilder/src/molecule.hpp (modified) * molecuilder/src/moleculelist.cpp (modified) Moved flipChosen method from oldmenu to MoleculeListClass Tue, 29 Dec 2009 11:47:57 GMT Tillmann Crueger [8d24e2] * molecuilder/src/unittests/ActionSequenceTest.cpp (modified) * molecuilder/src/unittests/ActionSequenceTest.hpp (modified) Added more tests for Actionsequence - Test if every included object ... Sat, 19 Dec 2009 19:32:24 GMT Frederik Heber [ff4611] * molecuilder/src/boundary.cpp (modified) * molecuilder/src/boundary.hpp (modified) * molecuilder/src/molecule.hpp (modified) * molecuilder/src/molecule_pointcloud.cpp (modified) * molecuilder/src/tesselation.cpp (modified) * molecuilder/src/tesselation.hpp (modified) * molecuilder/src/tesselationhelpers.cpp (modified) * molecuilder/src/tesselationhelpers.hpp (modified) Attempt to fix the embedding. Basically it would be working, but ... Sat, 19 Dec 2009 19:31:34 GMT Frederik Heber [f78203] * molecuilder/src/analysis_correlation.cpp (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/molecule_geometry.cpp (modified) Smaller fixes. - analysis_correlation.cpp: Info objects created at ... Thu, 17 Dec 2009 17:45:35 GMT Frederik Heber [0310b8] * molecuilder/src/tesselation.cpp (modified) * molecuilder/src/tesselation.hpp (modified) Non-convex tesselation seems to be working. Seems like it has been ... Thu, 17 Dec 2009 16:56:06 GMT Tillmann Crueger [93df03f] * molecuilder/src/unittests/ActionSequenceTest.cpp (added) * molecuilder/src/unittests/ActionSequenceTest.hpp (added) * molecuilder/src/unittests/Makefile.am (modified) Added unittest for ActionSequence. Thu, 17 Dec 2009 14:40:16 GMT Tillmann Crueger [f3dd95] * molecuilder/src/menu.cpp (modified) Removed legacy code from old menu structure. Thu, 17 Dec 2009 14:38:29 GMT Tillmann Crueger [32df34] * molecuilder/src/Actions/Action.hpp (modified) * molecuilder/src/Actions/ActionSequence.cpp (modified) * molecuilder/src/Actions/MakroAction.cpp (added) * molecuilder/src/Actions/MakroAction.hpp (added) * molecuilder/src/Makefile.am (modified) * molecuilder/src/menu.cpp (modified) Added an action that allows grouping and grouped execution of several ... Thu, 17 Dec 2009 14:21:47 GMT Tillmann Crueger [425da9] * molecuilder/src/Actions/ActionSequence.cpp (added) * molecuilder/src/Actions/ActionSequence.hpp (added) * molecuilder/src/Makefile.am (modified) Added mechanism that allow to store and later execute sequences of ... Wed, 16 Dec 2009 16:18:46 GMT Frederik Heber [281324] * molecuilder/src/builder.cpp (modified) * molecuilder/src/molecule_graph.cpp (modified) * molecuilder/src/moleculelist.cpp (modified) * molecuilder/tests/regression/Tesselation/1/post/NonConvexEnvelope.dat (modified) * molecuilder/tests/regression/Tesselation/1/post/NonConvexEnvelope.r3d (modified) * molecuilder/tests/regression/Tesselation/2/post/ConvexEnvelope.dat (modified) * molecuilder/tests/regression/Tesselation/2/post/ConvexEnvelope.r3d (modified) * molecuilder/tests/regression/Tesselation/2/post/NonConvexEnvelope.dat (modified) * molecuilder/tests/regression/Tesselation/2/post/NonConvexEnvelope.r3d (modified) * molecuilder/tests/regression/Tesselation/3/post/NonConvexEnvelope.dat (modified) * molecuilder/tests/regression/Tesselation/3/post/NonConvexEnvelope.r3d (modified) * molecuilder/tests/testsuite.at (modified) Merge branch 'FixTestSuite' into FixDegeneratedTesselation Wed, 16 Dec 2009 16:18:41 GMT Frederik Heber [230b16] * molecuilder/src/Makefile.am (modified) * pcp/src/Makefile.am (modified) * util/src/Makefile.am (modified) Merge branch 'FixVersioning2' into FixDegeneratedTesselation