# # ChangeLog for src # # Generated by Trac 1.6 # May 24, 2025, 3:12:55 PM Thu, 16 Dec 2010 17:32:22 GMT Frederik Heber [125002] * src/Actions/Makefile.am (modified) * src/Actions/SelectionAction/Atoms/AllAtomsAction.cpp (moved) * src/Actions/SelectionAction/Atoms/AllAtomsAction.def (moved) * src/Actions/SelectionAction/Atoms/AllAtomsAction.hpp (moved) * src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.cpp (moved) * src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.def (moved) * src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.hpp (moved) * src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.cpp (moved) * src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.def (moved) * src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.hpp (moved) * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.cpp (moved) * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def (moved) * src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.hpp (moved) * src/Actions/SelectionAction/Atoms/AtomByElementAction.cpp (moved) * src/Actions/SelectionAction/Atoms/AtomByElementAction.def (moved) * src/Actions/SelectionAction/Atoms/AtomByElementAction.hpp (moved) * src/Actions/SelectionAction/Atoms/AtomByIdAction.cpp (moved) * src/Actions/SelectionAction/Atoms/AtomByIdAction.def (moved) * src/Actions/SelectionAction/Atoms/AtomByIdAction.hpp (moved) * src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.cpp (moved) * src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.def (moved) * src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.hpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsAction.cpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsAction.def (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsAction.hpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.cpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.def (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.hpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.cpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.def (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.hpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.cpp (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.def (moved) * src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.hpp (moved) * src/Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp (moved) * src/Actions/SelectionAction/Atoms/NotAtomByElementAction.def (moved) * src/Actions/SelectionAction/Atoms/NotAtomByElementAction.hpp (moved) * src/Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp (moved) * src/Actions/SelectionAction/Atoms/NotAtomByIdAction.def (moved) * src/Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp (moved) * src/Actions/SelectionAction/Molecules/AllMoleculesAction.cpp (moved) * src/Actions/SelectionAction/Molecules/AllMoleculesAction.def (moved) * src/Actions/SelectionAction/Molecules/AllMoleculesAction.hpp (moved) * src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.cpp (moved) * src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.def (moved) * src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.hpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.cpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.def (moved) * src/Actions/SelectionAction/Molecules/MoleculeByFormulaAction.hpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByIdAction.cpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByIdAction.def (moved) * src/Actions/SelectionAction/Molecules/MoleculeByIdAction.hpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByNameAction.cpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByNameAction.def (moved) * src/Actions/SelectionAction/Molecules/MoleculeByNameAction.hpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.cpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.def (moved) * src/Actions/SelectionAction/Molecules/MoleculeByOrderAction.hpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.cpp (moved) * src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.def (moved) * src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.hpp (moved) * src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.cpp (moved) * src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.def (moved) * src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.hpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.cpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.def (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.hpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.cpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.def (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByIdAction.hpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.cpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.def (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByNameAction.hpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.cpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.def (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.hpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.cpp (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.def (moved) * src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.hpp (moved) Splitted SelectionAction modules into two groups - atoms, molecules - ... Thu, 16 Dec 2010 17:32:22 GMT Frederik Heber [92d756] * src/Actions/Makefile.am (modified) * src/Actions/SelectionAction/AllAtomsAction.cpp (modified) * src/Actions/SelectionAction/AllAtomsInsideCuboidAction.cpp (modified) * src/Actions/SelectionAction/AllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/AllAtomsInsideSphereAction.cpp (modified) * src/Actions/SelectionAction/AllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/AllAtomsOfMoleculeAction.cpp (modified) * src/Actions/SelectionAction/AllMoleculesAction.cpp (modified) * src/Actions/SelectionAction/AtomByElementAction.cpp (modified) * src/Actions/SelectionAction/AtomByIdAction.cpp (modified) * src/Actions/SelectionAction/ClearAllAtomsAction.cpp (modified) * src/Actions/SelectionAction/ClearAllMoleculesAction.cpp (modified) * src/Actions/SelectionAction/MoleculeByFormulaAction.cpp (modified) * src/Actions/SelectionAction/MoleculeByIdAction.cpp (modified) * src/Actions/SelectionAction/MoleculeByNameAction.cpp (added) * src/Actions/SelectionAction/MoleculeByNameAction.def (added) * src/Actions/SelectionAction/MoleculeByNameAction.hpp (added) * src/Actions/SelectionAction/MoleculeByOrderAction.cpp (modified) * src/Actions/SelectionAction/MoleculeByOrderAction.def (modified) * src/Actions/SelectionAction/MoleculeOfAtomAction.cpp (modified) * src/Actions/SelectionAction/NotAllAtomsAction.cpp (modified) * src/Actions/SelectionAction/NotAllAtomsAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsInsideCuboidAction.cpp (modified) * src/Actions/SelectionAction/NotAllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsInsideSphereAction.cpp (modified) * src/Actions/SelectionAction/NotAllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsOfMoleculeAction.cpp (modified) * src/Actions/SelectionAction/NotAllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/NotAllMoleculesAction.cpp (modified) * src/Actions/SelectionAction/NotAllMoleculesAction.def (modified) * src/Actions/SelectionAction/NotAtomByElementAction.cpp (modified) * src/Actions/SelectionAction/NotAtomByElementAction.def (modified) * src/Actions/SelectionAction/NotAtomByIdAction.cpp (modified) * src/Actions/SelectionAction/NotMoleculeByFormulaAction.cpp (modified) * src/Actions/SelectionAction/NotMoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/NotMoleculeByIdAction.cpp (modified) * src/Actions/SelectionAction/NotMoleculeByNameAction.cpp (added) * src/Actions/SelectionAction/NotMoleculeByNameAction.def (added) * src/Actions/SelectionAction/NotMoleculeByNameAction.hpp (added) * src/Actions/SelectionAction/NotMoleculeByOrderAction.cpp (added) * src/Actions/SelectionAction/NotMoleculeByOrderAction.def (added) * src/Actions/SelectionAction/NotMoleculeByOrderAction.hpp (added) * src/Actions/SelectionAction/NotMoleculeOfAtomAction.cpp (modified) * src/Actions/SelectionAction/NotMoleculeOfAtomAction.def (modified) * src/Descriptors/MoleculeNameDescriptor.cpp (modified) * src/Descriptors/MoleculeOrderDescriptor.cpp (added) * src/Descriptors/MoleculeOrderDescriptor.hpp (added) * src/Descriptors/MoleculeOrderDescriptor_impl.hpp (added) * src/Makefile.am (modified) Larger update of selections. - new selections: - ... Thu, 16 Dec 2010 17:32:22 GMT Frederik Heber [0bbfa1] * src/Parser/TremoloAtomInfoContainer.cpp (modified) * src/Parser/TremoloAtomInfoContainer.hpp (modified) * src/Parser/TremoloParser.cpp (modified) BUGFIX: Parsing a second .data file failed. - atomIdMap was not ... Thu, 16 Dec 2010 17:32:22 GMT Frederik Heber [93fd43e] * src/Parser/PdbParser.cpp (modified) * src/Parser/PdbParser.hpp (modified) new function PdbParser::getadditionalAtomData() that also adds new ... Thu, 16 Dec 2010 17:32:22 GMT Frederik Heber [1d02fe3] * src/Parser/PdbParser.cpp (modified) MEMFIX: PdbParser::readAtomDataLine() additionalAtomData entries ... Thu, 16 Dec 2010 17:32:18 GMT Frederik Heber [16462f] * src/Parser/PdbAtomInfoContainer.cpp (modified) * src/Parser/PdbAtomInfoContainer.hpp (modified) * src/Parser/PdbKey.hpp (modified) * src/Parser/PdbParser.cpp (modified) * src/Parser/PdbParser.hpp (modified) * tests/regression/Simple_configuration/2/post/test.pdb (modified) PdbParser is now complete with respect to additionalAtomData. - ... Thu, 16 Dec 2010 17:27:54 GMT Frederik Heber [24f128] * src/Parser/TremoloParser.cpp (modified) MEMFIX: TremoloParser::readAtomDataLine() additionalAtomData entries. ... Thu, 16 Dec 2010 17:27:54 GMT Frederik Heber [031e2c6] * src/Parser/Makefile.am (modified) * src/Parser/TremoloAtomInfoContainer.cpp (added) * src/Parser/TremoloAtomInfoContainer.hpp (added) * src/Parser/TremoloKey.hpp (added) * src/Parser/TremoloParser.cpp (modified) * src/Parser/TremoloParser.hpp (modified) Splitted off classes TremoloKey and TremoloAtomInfoContainer into own ... Mon, 06 Dec 2010 20:47:33 GMT Frederik Heber [4c1230] * src/Parser/PdbParser.cpp (modified) FIX: PdbParser::writeNeighbors() uses getAtomId not getSerial. - ... Mon, 06 Dec 2010 19:37:05 GMT Frederik Heber [a564be] * src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) * src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified) * src/Makefile.am (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * src/stackclass.hpp (deleted) * src/unittests/Makefile.am (modified) * src/unittests/stackclassunittest.cpp (deleted) * src/unittests/stackclassunittest.hpp (deleted) Removed ancient StackClass, replaced by std::deque. - all PopLast ... Sun, 05 Dec 2010 00:20:42 GMT Frederik Heber [ca03c7] * src/Actions/Makefile.am (modified) * src/Actions/SelectionAction/MoleculeByOrderAction.cpp (added) * src/Actions/SelectionAction/MoleculeByOrderAction.def (added) * src/Actions/SelectionAction/MoleculeByOrderAction.hpp (added) Added select-molecule-by-order Action. Sun, 05 Dec 2010 00:20:07 GMT Frederik Heber [cabb46] * src/Actions/Makefile.am (modified) * src/Actions/MoleculeAction/LoadAction.cpp (added) * src/Actions/MoleculeAction/LoadAction.def (moved) * src/Actions/MoleculeAction/LoadAction.hpp (moved) * src/Actions/MoleculeAction/SaveAction.cpp (moved) * src/Actions/MoleculeAction/SaveAction.def (moved) * src/Actions/MoleculeAction/SaveAction.hpp (moved) * src/Actions/ParserAction/LoadXyzAction.cpp (deleted) * src/Actions/WorldAction/InputAction.cpp (modified) * src/Actions/WorldAction/ScaleBoxAction.def (modified) * src/Parser/FormatParserStorage.cpp (modified) * src/Parser/FormatParserStorage.hpp (modified) * src/Parser/XyzParser.cpp (modified) * src/unittests/ParserCommonUnitTest.cpp (modified) * tests/regression/Simple_configuration/2/post/test.conf (modified) * tests/regression/Simple_configuration/2/post/test.pdb (modified) * tests/regression/Simple_configuration/2/pre/test.conf (added) * tests/regression/Simple_configuration/2/pre/test.pdb (added) * tests/regression/Simple_configuration/2/pre/test.xyz (modified) * tests/regression/testsuite-domain.at (modified) * tests/regression/testsuite-molecules.at (modified) * tests/regression/testsuite-simple_configuration.at (modified) Extended LoadXyz and SaveXyz to any format. - renamed ... Sun, 05 Dec 2010 00:01:43 GMT Frederik Heber [4fbca9c] * src/Parser/Makefile.am (modified) * src/Parser/PdbAtomInfoContainer.cpp (added) * src/Parser/PdbAtomInfoContainer.hpp (added) * src/Parser/PdbKey.hpp (added) * src/Parser/PdbParser.cpp (modified) * src/Parser/PdbParser.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/ParserCommonUnitTest.cpp (moved) * src/unittests/ParserCommonUnitTest.hpp (added) * src/unittests/ParserTremoloUnitTest.cpp (added) * src/unittests/ParserTremoloUnitTest.hpp (moved) PdbParser::save() fully working. - added UnitTest for PdbParser. - ... Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [e828c0] * src/LinearAlgebra/Eigenspace.cpp (modified) * src/LinearAlgebra/MatrixContent.cpp (modified) * src/LinearAlgebra/MatrixContent.hpp (modified) * src/LinearAlgebra/Subspace.cpp (modified) * src/LinearAlgebra/Subspace.hpp (modified) * src/LinearAlgebra/VectorContent.cpp (modified) * src/Makefile.am (modified) * src/SubspaceFactorizer.cpp (added) * src/unittests/SubspaceFactorizerUnittest.cpp (modified) * src/unittests/SubspaceFactorizerUnittest.hpp (modified) SubspaceFactorizer is now hierarchical. - higher order subspace ... Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [1fb318] * src/Helpers/toString.hpp (modified) Added helper template function: ConvertTo() that converts a string to ... Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [286af5f] * src/LinearAlgebra/Eigenspace.cpp (modified) * src/LinearAlgebra/Eigenspace.hpp (modified) * src/LinearAlgebra/Subspace.cpp (modified) * src/LinearAlgebra/Subspace.hpp (modified) * src/unittests/SubspaceFactorizerUnittest.cpp (modified) * src/unittests/SubspaceFactorizerUnittest.hpp (modified) SubspaceFactorizerUnittest::SubspaceTest() - fully working compared ... Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [7d059d] * src/LinearAlgebra/MatrixContent.cpp (modified) SMALLFIX: MatrixContent::setIdentity() - made cast from bool to ... Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [9f9b5a] * src/Helpers/toString.hpp (modified) Added some template operator<<() functions for ... Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [a06042] * src/LinearAlgebra/Eigenspace.cpp (modified) * src/LinearAlgebra/Eigenspace.hpp (modified) * src/LinearAlgebra/Subspace.cpp (modified) * src/LinearAlgebra/Subspace.hpp (modified) * src/unittests/SubspaceFactorizerUnittest.cpp (modified) SubspaceFactorizerUnittest::SubspaceTest() enhanced. - Now ... Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [586055] * src/LinearAlgebra/VectorContent.cpp (modified) Made VectorContent::operator=() ASSERT more verbose. Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [9c5296] * src/LinearAlgebra/Eigenspace.cpp (added) * src/LinearAlgebra/Eigenspace.hpp (added) * src/LinearAlgebra/Makefile.am (modified) * src/LinearAlgebra/Subspace.cpp (added) * src/LinearAlgebra/Subspace.hpp (added) * src/unittests/SubspaceFactorizerUnittest.cpp (modified) * src/unittests/SubspaceFactorizerUnittest.hpp (modified) New classes Eigenspace and Subspace that contain eigen(sub)spaces. ... Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [f5bca2] * src/unittests/SubspaceFactorizerUnittest.cpp (modified) * src/unittests/SubspaceFactorizerUnittest.hpp (modified) SubspaceFactorizer now has the matrix dimension as an enum. Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [742371] * src/LinearAlgebra/MatrixContent.cpp (modified) * src/unittests/SubspaceFactorizerUnittest.cpp (modified) * src/unittests/SubspaceFactorizerUnittest.hpp (modified) Subspace Factorizer is almost working. - for the testing (4x4) ... Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [a062e1] * src/LinearAlgebra/MatrixContent.cpp (modified) BUGFIX: MatrixContent::operator*=(MatrixContent&)'ASSIGNS were wrong. ... Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [14cce6] * src/LinearAlgebra/VectorContent.cpp (modified) * src/LinearAlgebra/VectorContent.hpp (modified) New getter for VectorContent::dimension. Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [aab177] * src/LinearAlgebra/MatrixContent.cpp (modified) BUGFIX: MatrixContent::getColumnVector() and ... Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [35fbef] * src/LinearAlgebra/MatrixContent.cpp (modified) * src/LinearAlgebra/MatrixContent.hpp (modified) BUGFIX: MatrixContent::get...() not const member functions as should be. Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [3da2fb] * src/LinearAlgebra/Makefile.am (modified) * src/LinearAlgebra/MatrixContent.cpp (modified) * src/LinearAlgebra/MatrixContent.hpp (modified) * src/LinearAlgebra/MatrixVector_ops.cpp (added) * src/LinearAlgebra/MatrixVector_ops.hpp (added) * src/LinearAlgebra/Vector.hpp (modified) * src/LinearAlgebra/VectorContent.hpp (modified) New module MatrixVector_ops that contains matrix vector products. - ... Sat, 04 Dec 2010 23:56:28 GMT Frederik Heber [694eae] * src/LinearAlgebra/Vector.cpp (modified) * src/LinearAlgebra/Vector.hpp (modified) Implemenation of Vector::Norm(), ... now depend on VectorContent. - ... Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [3dd9c7] * src/LinearAlgebra/VectorContent.cpp (modified) * src/LinearAlgebra/VectorContent.hpp (modified) New functions for VectorContent, partially copied from Vector. - ... Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [40be55] * src/unittests/SubspaceFactorizerUnittest.cpp (modified) * src/unittests/SubspaceFactorizerUnittest.hpp (modified) Current stable version of SubspaceFactorizer. can: - functions ... Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [0fd3f2] * src/LinearAlgebra/VectorContent.cpp (modified) * src/LinearAlgebra/VectorContent.hpp (modified) Scalar product operator implemented, taken from Vector. Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [f453d2] * src/LinearAlgebra/VectorContent.cpp (modified) * src/LinearAlgebra/VectorContent.hpp (modified) New VectorContent copy constructor for gsl_vector. Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [60dada] * src/LinearAlgebra/MatrixContent.cpp (modified) * src/LinearAlgebra/MatrixContent.hpp (modified) * src/LinearAlgebra/RealSpaceMatrix.cpp (modified) Added getter for MatrixContent:rows and ::columns, and for ... Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [4c57fb] * src/Helpers/toString.hpp (modified) FIX: _object for toString() can and has to be const without any loss. Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [d85c28] * src/LinearAlgebra/MatrixContent.cpp (modified) * src/LinearAlgebra/MatrixContent.hpp (modified) Added Hadamard product by overloading MatrixContent::operator&(..) ... Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [041462] * src/LinearAlgebra/VectorContent.cpp (modified) BUGFIX: operator<< for VectorContent placed "," at wrong position. Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [17fa81] * src/LinearAlgebra/MatrixContent.cpp (modified) MatrixContent::transformToEigenbasis() also working for non-symmetric ... Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [5eec98] * src/unittests/Makefile.am (modified) Subspacefactorizer can now be linked with just GSLLIBS. - i.e. we ... Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [13d150] * src/LinearAlgebra/Makefile.am (modified) * src/LinearAlgebra/leastsquaremin.cpp (moved) * src/LinearAlgebra/leastsquaremin.hpp (moved) * src/LinearAlgebra/vector_ops.cpp (modified) * src/Makefile.am (modified) * src/molecule.cpp (modified) * src/molecule_geometry.cpp (modified) Moved leastsquaremin.?pp to LinearAlgebra. - changed Makefile.am ... Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [6d5a10] * src/Exceptions/MultipleSolutionsException.hpp (modified) * src/LinearAlgebra/MatrixContent.cpp (modified) * src/LinearAlgebra/Plane.cpp (modified) * src/LinearAlgebra/RealSpaceMatrix.cpp (modified) * src/LinearAlgebra/Vector.cpp (modified) Added/Sorted some includes in LinearAlgebra and Exceptions. Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [e4fe8d] * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified) * src/Descriptors/AtomIdDescriptor.hpp (modified) * src/Descriptors/AtomShapeDescriptor.hpp (modified) * src/Descriptors/MoleculeIdDescriptor.hpp (modified) * src/Descriptors/MoleculeNameDescriptor.hpp (modified) * src/Descriptors/MoleculePtrDescriptor.hpp (modified) * src/Helpers/Makefile.am (modified) * src/Helpers/defs.cpp (moved) * src/Helpers/defs.hpp (moved) * src/Helpers/fast_functions.hpp (modified) * src/Helpers/helpers.hpp (modified) * src/LinearAlgebra/MatrixContent.cpp (modified) * src/LinearAlgebra/Plane.cpp (modified) * src/LinearAlgebra/RealSpaceMatrix.cpp (modified) * src/LinearAlgebra/RealSpaceMatrix.hpp (modified) * src/LinearAlgebra/Space.cpp (modified) * src/LinearAlgebra/Vector.cpp (modified) * src/LinearAlgebra/Vector.hpp (modified) * src/LinearAlgebra/VectorContent.cpp (modified) * src/LinearAlgebra/linearsystemofequations.cpp (modified) * src/Makefile.am (modified) * src/Patterns/Singleton.hpp (modified) * src/Shapes/BaseShapes.cpp (modified) * src/UIElements/Menu/TextMenu/DisplayMenuItem.hpp (modified) * src/UIElements/Menu/TextMenu/SeparatorMenuItem.cpp (modified) * src/UIElements/Menu/TextMenu/TxMenu.hpp (modified) * src/UIElements/Qt4/QtUIFactory.cpp (modified) * src/UIElements/TextUI/TextWindow.cpp (modified) * src/World.cpp (modified) * src/analysis_correlation.hpp (modified) * src/boundary.hpp (modified) * src/element.hpp (modified) * src/linkedcell.hpp (modified) * src/molecule_graph.cpp (modified) * src/periodentafel.hpp (modified) * src/tesselationhelpers.hpp (modified) * src/unittests/logunittest.cpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/vectorunittest.cpp (modified) Moved defs.?pp to subdir (and library) Helpers. - hence, include ... Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [ef0c6b] * src/LinearAlgebra/Makefile.am (modified) * src/LinearAlgebra/gslvector.cpp (deleted) * src/LinearAlgebra/gslvector.hpp (deleted) Deleted gslvector.?pp from repository. Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [8e9ce1] * src/LinearAlgebra/MatrixContent.cpp (modified) * src/LinearAlgebra/MatrixContent.hpp (modified) * src/LinearAlgebra/VectorContent.cpp (modified) * src/LinearAlgebra/VectorContent.hpp (modified) Added MatrixViewContent to allow views on blocks of a gsl_matrix. - ... Sat, 04 Dec 2010 23:56:27 GMT Frederik Heber [b4cf2b] * src/LinearAlgebra/MatrixContent.cpp (modified) * src/LinearAlgebra/MatrixContent.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/SubspaceFactorizerUnittest.cpp (added) * src/unittests/SubspaceFactorizerUnittest.hpp (added) First commit of SubspaceFactorizerUnitTest. Sat, 04 Dec 2010 23:54:32 GMT Frederik Heber [bbf1bd] * src/LinearAlgebra/Makefile.am (modified) * src/LinearAlgebra/MatrixContent.cpp (modified) * src/LinearAlgebra/MatrixContent.hpp (modified) * src/LinearAlgebra/RealSpaceMatrix.cpp (modified) * src/LinearAlgebra/Vector.cpp (modified) * src/LinearAlgebra/Vector.hpp (modified) * src/LinearAlgebra/VectorContent.cpp (added) * src/LinearAlgebra/VectorContent.hpp (modified) * src/LinearAlgebra/linearsystemofequations.cpp (modified) * src/LinearAlgebra/linearsystemofequations.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/MatrixContentSymmetricUnittest.cpp (modified) * src/unittests/MatrixContentUnittest.cpp (modified) * src/unittests/VectorContentUnittest.cpp (moved) * src/unittests/VectorContentUnittest.hpp (moved) Extended VectorContent class. - VectorContent formerly has been ... Sat, 04 Dec 2010 23:54:32 GMT Frederik Heber [5ada94] * src/LinearAlgebra/Makefile.am (modified) * src/LinearAlgebra/gslmatrix.cpp (deleted) * src/LinearAlgebra/gslmatrix.hpp (deleted) * src/LinearAlgebra/vector_ops.cpp (modified) Removed files gslmatrix.?pp. - also removed last include in ... Sat, 04 Dec 2010 23:54:32 GMT Frederik Heber [6c1cd1] * src/LinearAlgebra/MatrixContent.cpp (modified) tempfix: typo in MatrixContent::...pointer contained ref to GSLMatrix. Sat, 04 Dec 2010 23:54:32 GMT Frederik Heber [c134d9] * src/LinearAlgebra/MatrixContent.cpp (modified) * src/LinearAlgebra/RealSpaceMatrix.cpp (modified) tempfix: removed transpose ... messages. Sat, 04 Dec 2010 23:54:32 GMT Frederik Heber [0d4424] * src/LinearAlgebra/Line.cpp (modified) * src/LinearAlgebra/MatrixContent.cpp (modified) * src/LinearAlgebra/MatrixContent.hpp (modified) * src/LinearAlgebra/linearsystemofequations.cpp (modified) * src/LinearAlgebra/linearsystemofequations.hpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/MatrixContentSymmetricUnittest.cpp (moved) * src/unittests/MatrixContentSymmetricUnittest.hpp (moved) * src/unittests/MatrixContentUnittest.cpp (moved) * src/unittests/MatrixContentUnittest.hpp (moved) Made gslmatrix obsolete. - Transfered property and swap...() ... Sat, 04 Dec 2010 23:54:32 GMT Frederik Heber [cca9ef] * src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified) * src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified) * src/Actions/SelectionAction/AllAtomsInsideCuboidAction.cpp (modified) * src/Actions/SelectionAction/NotAllAtomsInsideCuboidAction.cpp (modified) * src/Actions/ValueStorage.cpp (modified) * src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified) * src/Actions/WorldAction/ChangeBoxAction.cpp (modified) * src/Actions/WorldAction/RepeatBoxAction.cpp (modified) * src/Actions/WorldAction/ScaleBoxAction.cpp (modified) * src/Box.cpp (modified) * src/Box.hpp (modified) * src/LinearAlgebra/Makefile.am (modified) * src/LinearAlgebra/MatrixContent.cpp (modified) * src/LinearAlgebra/MatrixContent.hpp (modified) * src/LinearAlgebra/RealSpaceMatrix.cpp (moved) * src/LinearAlgebra/RealSpaceMatrix.hpp (moved) * src/LinearAlgebra/Vector.hpp (modified) * src/Parser/PcpParser.cpp (modified) * src/Shapes/ShapeOps.cpp (modified) * src/Shapes/ShapeOps.hpp (modified) * src/Shapes/ShapeOps_impl.hpp (modified) * src/UIElements/CommandLineUI/Query/BoxCommandLineQuery.cpp (modified) * src/UIElements/Dialog.cpp (modified) * src/UIElements/Qt4/Pipe/BoxQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/BoxQtQueryPipe.hpp (modified) * src/UIElements/Qt4/Query/BoxQtQuery.cpp (modified) * src/UIElements/TextUI/Query/BoxTextQuery.cpp (modified) * src/UIElements/TextUI/Query/VectorTextQuery.cpp (modified) * src/UIElements/TextUI/Query/VectorsTextQuery.cpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/analysis_correlation.cpp (modified) * src/atom_atominfo.hpp (modified) * src/boundary.cpp (modified) * src/config.cpp (modified) * src/ellipsoid.cpp (modified) * src/molecule.cpp (modified) * src/molecule_fragmentation.cpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/moleculelist.cpp (modified) * src/tesselationhelpers.cpp (modified) * src/unittests/BoxUnittest.cpp (modified) * src/unittests/BoxUnittest.hpp (modified) * src/unittests/MatrixUnittest.cpp (modified) * src/unittests/MatrixUnittest.hpp (modified) * src/unittests/vectorunittest.cpp (modified) Renamed Matrix to RealSpaceMatrix. - class Matrix only represents ... Sat, 04 Dec 2010 23:54:32 GMT Frederik Heber [3bc926] * src/LinearAlgebra/Makefile.am (modified) * src/LinearAlgebra/Matrix.cpp (modified) * src/LinearAlgebra/Matrix.hpp (modified) * src/LinearAlgebra/MatrixContent.cpp (added) * src/LinearAlgebra/MatrixContent.hpp (modified) * src/LinearAlgebra/Vector.hpp (modified) * src/LinearAlgebra/gslmatrix.cpp (modified) * src/LinearAlgebra/gslmatrix.hpp (modified) * src/unittests/MatrixUnittest.cpp (modified) Extended MatrixContent class. - MatrixContent formerly has been ... Sat, 04 Dec 2010 23:54:32 GMT Frederik Heber [9eb7580] * src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified) * src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified) * src/Actions/SelectionAction/AllAtomsInsideCuboidAction.cpp (modified) * src/Actions/SelectionAction/NotAllAtomsInsideCuboidAction.cpp (modified) * src/Box.cpp (modified) * src/LinearAlgebra/Matrix.cpp (modified) * src/LinearAlgebra/Matrix.hpp (modified) * src/UIElements/Qt4/Pipe/BoxQtQueryPipe.cpp (modified) * src/unittests/BoxUnittest.cpp (modified) * src/unittests/MatrixUnittest.cpp (modified) Renamed Matrix setter functions to unify naming. - Matrix::one -> ... Sat, 04 Dec 2010 23:54:32 GMT Frederik Heber [cfc53b] * src/Helpers/Assert.hpp (modified) * src/Helpers/toString.hpp (added) * src/UIElements/CommandLineUI/CommandLineParser.cpp (modified) Added template function toString(), is included in Assert.hpp. - ... Sat, 04 Dec 2010 23:47:35 GMT Frederik Heber [a01144] * src/UIElements/TextUI/TextWindow.cpp (modified) MEMFIX: quitAction is not free'd anymore. - this is done by ... Sat, 04 Dec 2010 23:47:35 GMT Frederik Heber [0e08d5] * src/UIElements/Menu/TextMenu/TextMenu.hpp (modified) * src/UIElements/Menu/TextMenu/TxMenu.cpp (modified) MEMFIX: Submenus were not free'd. - introduced list of submenus to ... Sat, 04 Dec 2010 23:47:35 GMT Frederik Heber [b2151f5] * src/UIElements/Menu/TextMenu/ActionMenuItem.hpp (modified) * src/UIElements/Menu/TextMenu/DisplayMenuItem.hpp (modified) * src/UIElements/Menu/TextMenu/SeparatorMenuItem.hpp (modified) * src/UIElements/Menu/TextMenu/SubMenuItem.hpp (modified) * src/UIElements/Menu/TextMenu/TextMenu.hpp (modified) * src/UIElements/Menu/TextMenu/TxMenu.hpp (modified) Removed some virtual keywords in front of classes that are not base ... Sat, 04 Dec 2010 23:47:35 GMT Frederik Heber [c82d0c] * src/UIElements/Menu/Menu.cpp (modified) * src/UIElements/Menu/Menu.hpp (modified) * src/UIElements/Menu/MenuDescription.cpp (modified) * src/UIElements/Menu/MenuDescription.hpp (modified) * src/builder.cpp (modified) * src/unittests/MenuDescriptionUnitTest.cpp (modified) MenuDescription is now a singleton. - also all Maps are static ... Sat, 04 Dec 2010 23:47:35 GMT Frederik Heber [d5240d] * configure.ac (modified) * src/Actions/Makefile.am (modified) * src/Exceptions/Makefile.am (modified) * src/Helpers/Makefile.am (modified) * src/LinearAlgebra/Makefile.am (modified) * src/Makefile.am (modified) * src/Parser/Makefile.am (modified) * src/UIElements/CommandLineUI/CommandLineParser_validate.cpp (modified) * src/UIElements/Makefile.am (modified) * src/unittests/Makefile.am (modified) FIX: Linking to non-system boost is working now. - FIX: ... Sat, 04 Dec 2010 23:47:35 GMT Frederik Heber [ae21cbd] * src/LinearAlgebra/Vector.cpp (modified) * src/LinearAlgebra/Vector.hpp (modified) * src/Patterns/Registry_impl.hpp (modified) * src/builder.cpp (modified) MEMFIX: new function AddStaticEntitiestoIgnoreList() for putting ... Sat, 04 Dec 2010 23:47:35 GMT Frederik Heber [41449c] * src/Actions/Action.cpp (modified) * src/Actions/Action.hpp (modified) * src/builder.cpp (modified) MEMFIX: Action::success and Action::failure are not recognized by ... Sat, 04 Dec 2010 23:47:35 GMT Frederik Heber [052afe] * src/Helpers/errorlogger.cpp (modified) * src/Helpers/logger.cpp (modified) * src/builder.cpp (modified) MEMFIX: ofstreams in ...logger.hpp as static objects were not ... Sat, 04 Dec 2010 23:47:35 GMT Frederik Heber [694d84] * src/UIElements/UIFactory.cpp (modified) * src/unittests/ActionSequenceTest.cpp (modified) * src/unittests/ActionSequenceTest.hpp (modified) * src/unittests/manipulateAtomsTest.cpp (modified) * src/unittests/manipulateAtomsTest.hpp (modified) MEMFIX: static factories map of UIFactory was not clear()'ed in ... Sat, 04 Dec 2010 23:47:35 GMT Frederik Heber [95c0ab] * src/Actions/ActionRegistry.cpp (modified) * src/Actions/Action_impl_pre.hpp (modified) MEMFIX: MemDebug was confused by const Action objects, changed to ... Sat, 04 Dec 2010 23:47:35 GMT Frederik Heber [d2b28f] * src/Actions/ActionTraits.cpp (modified) * src/AtomicInfo.cpp (modified) * src/Exceptions/NotOnSurfaceException.cpp (modified) * src/Exceptions/ShapeException.cpp (modified) * src/LinearAlgebra/BoxVector.cpp (modified) * src/LinearAlgebra/LineSegment.cpp (modified) * src/LinearAlgebra/LineSegmentSet.cpp (modified) * src/Thermostats/Berendsen.cpp (modified) * src/Thermostats/GaussianThermostat.cpp (modified) * src/Thermostats/Langevin.cpp (modified) * src/Thermostats/NoThermostat.cpp (modified) * src/Thermostats/NoseHoover.cpp (modified) * src/Thermostats/Thermostat.cpp (modified) * src/Thermostats/Woodcock.cpp (modified) * src/UIElements/Menu/MenuDescription.cpp (modified) * src/UIElements/Menu/MenuInterface.cpp (modified) Added missing MemDebug include to various implementation files. Sat, 04 Dec 2010 23:44:19 GMT Frederik Heber [d754bb] * src/UIElements/TextUI/Query/AtomTextQuery.cpp (modified) * src/UIElements/TextUI/Query/AtomsTextQuery.cpp (modified) * src/UIElements/TextUI/Query/BooleanTextQuery.cpp (modified) * src/UIElements/TextUI/Query/BoxTextQuery.cpp (modified) * src/UIElements/TextUI/Query/DoubleTextQuery.cpp (modified) * src/UIElements/TextUI/Query/DoublesTextQuery.cpp (modified) * src/UIElements/TextUI/Query/ElementTextQuery.cpp (modified) * src/UIElements/TextUI/Query/ElementsTextQuery.cpp (modified) * src/UIElements/TextUI/Query/FileTextQuery.cpp (modified) * src/UIElements/TextUI/Query/IntTextQuery.cpp (modified) * src/UIElements/TextUI/Query/IntsTextQuery.cpp (modified) * src/UIElements/TextUI/Query/MoleculeTextQuery.cpp (modified) * src/UIElements/TextUI/Query/MoleculesTextQuery.cpp (modified) * src/UIElements/TextUI/Query/StringTextQuery.cpp (modified) * src/UIElements/TextUI/Query/StringsTextQuery.cpp (modified) * src/UIElements/TextUI/Query/VectorTextQuery.cpp (modified) * src/UIElements/TextUI/Query/VectorsTextQuery.cpp (modified) All TextQuery now show getDescription()+": " on handle() call. - ... Sat, 04 Dec 2010 23:44:19 GMT Frederik Heber [5eebbc] * src/UIElements/TextUI/Query/FileTextQuery.cpp (modified) FIX: FileTextQuery was not working properly. - somehow getline from ... Sat, 04 Dec 2010 23:44:19 GMT Frederik Heber [670cd1] * src/UIElements/Menu/TextMenu/TextMenu.hpp (modified) FIX: Missing MemDebug.hpp before TextMenu template declaration. Sat, 04 Dec 2010 23:44:19 GMT Frederik Heber [1e0861] * src/Makefile.am (modified) * src/UIElements/Makefile.am (modified) Qt stuff is not compiled into libMolecuilder but libMolecuilderQtUI. Sat, 04 Dec 2010 23:44:19 GMT Frederik Heber [87db7a] * src/UIElements/CommandLineUI/CommandLineDialog.cpp (modified) * src/UIElements/CommandLineUI/CommandLineDialog.hpp (modified) * src/UIElements/CommandLineUI/Query/AtomCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/AtomsCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/BooleanCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/BoxCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/CommandLineQuery.hpp (added) * src/UIElements/CommandLineUI/Query/DoubleCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/DoublesCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/ElementCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/ElementsCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/EmptyCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/FileCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/IntCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/IntsCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/MoleculeCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/MoleculesCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/StringCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/StringsCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/VectorCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/VectorsCommandLineQuery.cpp (modified) * src/UIElements/Makefile.am (modified) Moved declaration for all CommandLineQuery.. into own header file. ... Sat, 04 Dec 2010 23:44:19 GMT Frederik Heber [a5ddf0] * src/Makefile.am (modified) * src/UIElements/Qt4/Pipe/AtomQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/AtomQtQueryPipe.hpp (added) * src/UIElements/Qt4/Pipe/AtomsQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/AtomsQtQueryPipe.hpp (added) * src/UIElements/Qt4/Pipe/BooleanQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/BooleanQtQueryPipe.hpp (added) * src/UIElements/Qt4/Pipe/BoxQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/BoxQtQueryPipe.hpp (added) * src/UIElements/Qt4/Pipe/DoubleQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/DoubleQtQueryPipe.hpp (added) * src/UIElements/Qt4/Pipe/ElementQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/ElementQtQueryPipe.hpp (added) * src/UIElements/Qt4/Pipe/ElementsQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/ElementsQtQueryPipe.hpp (added) * src/UIElements/Qt4/Pipe/EmptyQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/EmptyQtQueryPipe.hpp (added) * src/UIElements/Qt4/Pipe/FileQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/FileQtQueryPipe.hpp (added) * src/UIElements/Qt4/Pipe/IntQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/IntQtQueryPipe.hpp (added) * src/UIElements/Qt4/Pipe/MoleculeQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/MoleculeQtQueryPipe.hpp (added) * src/UIElements/Qt4/Pipe/MoleculesQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/MoleculesQtQueryPipe.hpp (added) * src/UIElements/Qt4/Pipe/QtQueryListPipe.hpp (modified) * src/UIElements/Qt4/Pipe/QtQueryPipe.hpp (added) * src/UIElements/Qt4/Pipe/StringQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/StringQtQueryPipe.hpp (added) * src/UIElements/Qt4/Pipe/VectorQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/VectorQtQueryPipe.hpp (added) * src/UIElements/Qt4/Pipe/VectorsQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/VectorsQtQueryPipe.hpp (added) * src/UIElements/Qt4/QtDialog.hpp (modified) * src/UIElements/Qt4/Query/AtomQtQuery.cpp (modified) * src/UIElements/Qt4/Query/AtomsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/BooleanQtQuery.cpp (modified) * src/UIElements/Qt4/Query/BoxQtQuery.cpp (modified) * src/UIElements/Qt4/Query/DoubleQtQuery.cpp (modified) * src/UIElements/Qt4/Query/ElementQtQuery.cpp (modified) * src/UIElements/Qt4/Query/ElementsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/EmptyQtQuery.cpp (modified) * src/UIElements/Qt4/Query/FileQtQuery.cpp (modified) * src/UIElements/Qt4/Query/IntQtQuery.cpp (modified) * src/UIElements/Qt4/Query/MoleculeQtQuery.cpp (modified) * src/UIElements/Qt4/Query/MoleculesQtQuery.cpp (modified) * src/UIElements/Qt4/Query/QtQuery.hpp (modified) * src/UIElements/Qt4/Query/StringQtQuery.cpp (modified) * src/UIElements/Qt4/Query/VectorQtQuery.cpp (modified) * src/UIElements/Qt4/Query/VectorsQtQuery.cpp (modified) All Qt...QueryPipe now have their own header file. - Query just ... Sat, 04 Dec 2010 23:42:39 GMT Frederik Heber [308aa4] * src/UIElements/Qt4/QtDialog.cpp (modified) * src/UIElements/Qt4/QtDialog.hpp (modified) * src/UIElements/Qt4/Query/AtomQtQuery.cpp (modified) * src/UIElements/Qt4/Query/AtomsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/BooleanQtQuery.cpp (modified) * src/UIElements/Qt4/Query/BoxQtQuery.cpp (modified) * src/UIElements/Qt4/Query/DoubleQtQuery.cpp (modified) * src/UIElements/Qt4/Query/DoublesQtQuery.cpp (modified) * src/UIElements/Qt4/Query/ElementQtQuery.cpp (modified) * src/UIElements/Qt4/Query/ElementsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/EmptyQtQuery.cpp (modified) * src/UIElements/Qt4/Query/FileQtQuery.cpp (modified) * src/UIElements/Qt4/Query/IntQtQuery.cpp (modified) * src/UIElements/Qt4/Query/IntsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/MoleculeQtQuery.cpp (modified) * src/UIElements/Qt4/Query/MoleculesQtQuery.cpp (modified) * src/UIElements/Qt4/Query/QtQuery.hpp (added) * src/UIElements/Qt4/Query/StringQtQuery.cpp (modified) * src/UIElements/Qt4/Query/StringsQtQuery.cpp (modified) * src/UIElements/Qt4/Query/VectorQtQuery.cpp (modified) * src/UIElements/Qt4/Query/VectorsQtQuery.cpp (modified) Moved declaration for all QtQuery.. into own header file. - Query ... Sat, 04 Dec 2010 23:42:39 GMT Frederik Heber [738ae1] * src/UIElements/Makefile.am (modified) * src/UIElements/TextUI/Query/AtomTextQuery.cpp (modified) * src/UIElements/TextUI/Query/AtomsTextQuery.cpp (modified) * src/UIElements/TextUI/Query/BooleanTextQuery.cpp (modified) * src/UIElements/TextUI/Query/BoxTextQuery.cpp (modified) * src/UIElements/TextUI/Query/DoubleTextQuery.cpp (modified) * src/UIElements/TextUI/Query/DoublesTextQuery.cpp (modified) * src/UIElements/TextUI/Query/ElementTextQuery.cpp (modified) * src/UIElements/TextUI/Query/ElementsTextQuery.cpp (modified) * src/UIElements/TextUI/Query/EmptyTextQuery.cpp (modified) * src/UIElements/TextUI/Query/FileTextQuery.cpp (modified) * src/UIElements/TextUI/Query/IntTextQuery.cpp (modified) * src/UIElements/TextUI/Query/IntsTextQuery.cpp (modified) * src/UIElements/TextUI/Query/MoleculeTextQuery.cpp (modified) * src/UIElements/TextUI/Query/MoleculesTextQuery.cpp (modified) * src/UIElements/TextUI/Query/StringTextQuery.cpp (modified) * src/UIElements/TextUI/Query/StringsTextQuery.cpp (modified) * src/UIElements/TextUI/Query/TextQuery.hpp (added) * src/UIElements/TextUI/Query/VectorTextQuery.cpp (modified) * src/UIElements/TextUI/Query/VectorsTextQuery.cpp (modified) * src/UIElements/TextUI/TextDialog.cpp (modified) * src/UIElements/TextUI/TextDialog.hpp (modified) Moved declaration for all TextQuery.. into own header file. - Query ... Sat, 04 Dec 2010 23:42:39 GMT Frederik Heber [3a21a7] * src/UIElements/CommandLineUI/CommandLineParser.cpp (modified) * src/UIElements/CommandLineUI/CommandLineParser_validate.cpp (added) * src/UIElements/CommandLineUI/CommandLineParser_validate.hpp (added) * src/UIElements/Makefile.am (modified) Moved validate() functions for boost::program_options into own ... Sat, 04 Dec 2010 23:42:39 GMT Frederik Heber [e9be39] * src/UIElements/Makefile.am (modified) * src/UIElements/Menu/TextMenu/SeparatorMenuItem.cpp (moved) * src/UIElements/Menu/TextMenu/SeparatorMenuItem.hpp (moved) * src/UIElements/Menu/TextMenu/TextMenu.hpp (modified) * src/UIElements/TextUI/TextWindow.cpp (modified) Renamed SeperatorItem -> SeparatorMenuItem. - in files and declarations. Sat, 04 Dec 2010 23:42:38 GMT Frederik Heber [f0f9a6] * src/UIElements/Makefile.am (modified) * src/UIElements/Menu/TextMenu/TextMenu.hpp (modified) * src/UIElements/Menu/TextMenu/TxMenu.cpp (modified) * src/UIElements/Menu/TextMenu/TxMenu.hpp (modified) * src/UIElements/Menu/TextMenu/TxMenuLeaveAction.cpp (added) * src/UIElements/Menu/TextMenu/TxMenuLeaveAction.hpp (added) Placed TxMenu::LeaveAction implementation and declaration into its ... Sat, 04 Dec 2010 23:42:38 GMT Frederik Heber [8f3f40] * src/UIElements/Menu/Menu.hpp (modified) * src/UIElements/Menu/TextMenu/TextMenu.hpp (modified) * src/UIElements/Menu/TextMenu/TxMenu.cpp (modified) * src/UIElements/Menu/TextMenu/TxMenu.hpp (modified) Added documentation on the new menu structure. Sat, 04 Dec 2010 23:33:50 GMT Frederik Heber [0af7ef] * src/UIElements/TextUI/TextWindow.cpp (modified) MEMFIX: quitAction is still deleted in TextWindow's destructor. - ... Sat, 04 Dec 2010 23:33:47 GMT Frederik Heber [b59da6] * src/Actions/ActionRegistry.cpp (modified) * src/Actions/ActionRegistry.hpp (modified) * src/Actions/ActionTraits.cpp (modified) * src/Actions/ActionTraits.hpp (modified) * src/Makefile.am (modified) * src/Patterns/Registry_impl.hpp (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Menu/Menu.cpp (modified) * src/UIElements/Menu/Menu.hpp (modified) * src/UIElements/Menu/MenuDescription.cpp (modified) * src/UIElements/Menu/MenuDescription.hpp (modified) * src/UIElements/Menu/MenuInterface.cpp (added) * src/UIElements/Menu/MenuInterface.hpp (added) * src/UIElements/Menu/Qt4/QtMenu.cpp (deleted) * src/UIElements/Menu/Qt4/QtMenu.hpp (modified) * src/UIElements/Menu/Qt4/QtMenuPipe.cpp (added) * src/UIElements/Menu/Qt4/QtMenuPipe.hpp (added) * src/UIElements/Menu/SubMenuItem.hpp (deleted) * src/UIElements/Menu/TextMenu/ActionMenuItem.cpp (moved) * src/UIElements/Menu/TextMenu/ActionMenuItem.hpp (moved) * src/UIElements/Menu/TextMenu/DisplayMenuItem.cpp (moved) * src/UIElements/Menu/TextMenu/DisplayMenuItem.hpp (moved) * src/UIElements/Menu/TextMenu/MenuItem.cpp (moved) * src/UIElements/Menu/TextMenu/MenuItem.hpp (moved) * src/UIElements/Menu/TextMenu/SeperatorItem.cpp (moved) * src/UIElements/Menu/TextMenu/SeperatorItem.hpp (moved) * src/UIElements/Menu/TextMenu/SubMenuItem.cpp (moved) * src/UIElements/Menu/TextMenu/SubMenuItem.hpp (added) * src/UIElements/Menu/TextMenu/TextMenu.hpp (added) * src/UIElements/Menu/TextMenu/TxMenu.cpp (moved) * src/UIElements/Menu/TextMenu/TxMenu.hpp (moved) * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/Qt4/QtMainWindow.hpp (modified) * src/UIElements/TextUI/TextWindow.cpp (modified) * src/UIElements/TextUI/TextWindow.hpp (modified) * src/builder.cpp (modified) Refactoring of Menu structure for Qt and Text UI done. - Menu is ... Sat, 04 Dec 2010 23:30:58 GMT Frederik Heber [5813ac] * src/UIElements/Qt4/Pipe/QtQueryListPipe.hpp (modified) * src/UIElements/TextUI/TextDialog.cpp (modified) FIX: forgot to move using boost::lexical_cast from TextDialog to ... Tue, 09 Nov 2010 15:38:03 GMT Frederik Heber [ffb9ad] * src/UIElements/Menu/MenuDescription.cpp (modified) * src/UIElements/Menu/MenuDescription.hpp (modified) * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/Qt4/QtMainWindow.hpp (modified) * src/UIElements/TextUI/TextWindow.cpp (modified) * src/unittests/MenuDescriptionUnitTest.cpp (modified) FIX: Menu entries are again correctly added to QtGui part. - also ... Tue, 09 Nov 2010 15:38:03 GMT Frederik Heber [e262c7] * src/Actions/convert.sh (deleted) * src/Actions/convert2.sh (deleted) * src/Actions/convert3.sh (deleted) * src/Actions/convert4.sh (deleted) * src/Actions/convert5.sh (deleted) Removed conversion scripts for ActionTraits refactoring. Tue, 09 Nov 2010 15:37:52 GMT Frederik Heber [7cb450] * src/builder.cpp (modified) Merge branch 'FixOptionRegistryMemLeak' into stable Tue, 09 Nov 2010 15:35:53 GMT Frederik Heber [76cec6] * src/builder.cpp (modified) MEMFIX: OptionRegistry has not been purged in cleanUp(). Mon, 01 Nov 2010 17:30:16 GMT Frederik Heber [c38826] * src/Actions/ActionTraits.cpp (modified) * src/Actions/Action_impl_header.hpp (modified) * src/Actions/OptionTrait.cpp (modified) Removed debug statements in ..Traits() constructors. Sat, 30 Oct 2010 20:42:44 GMT Frederik Heber [e4afb4] * src/Actions/Action.cpp (modified) * src/Actions/Action.hpp (modified) * src/Actions/ActionHistory.cpp (modified) * src/Actions/ActionHistory.hpp (modified) * src/Actions/ActionRegistry.cpp (modified) * src/Actions/ActionRegistry.hpp (modified) * src/Actions/ActionTraits.cpp (modified) * src/Actions/ActionTraits.hpp (modified) * src/Actions/Action_impl_header.hpp (modified) * src/Actions/Action_impl_pre.hpp (modified) * src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified) * src/Actions/AnalysisAction/MolecularVolumeAction.def (modified) * src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/PairCorrelationAction.def (modified) * src/Actions/AnalysisAction/PointCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/PointCorrelationAction.def (modified) * src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp (modified) * src/Actions/AnalysisAction/PrincipalAxisSystemAction.def (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.def (modified) * src/Actions/AtomAction/AddAction.cpp (modified) * src/Actions/AtomAction/AddAction.def (modified) * src/Actions/AtomAction/ChangeElementAction.cpp (modified) * src/Actions/AtomAction/ChangeElementAction.def (modified) * src/Actions/AtomAction/RemoveAction.cpp (modified) * src/Actions/AtomAction/RemoveAction.def (modified) * src/Actions/AtomAction/RotateAroundOriginByAngleAction.cpp (modified) * src/Actions/AtomAction/RotateAroundOriginByAngleAction.def (modified) * src/Actions/AtomAction/TranslateAction.cpp (modified) * src/Actions/AtomAction/TranslateAction.def (modified) * src/Actions/AtomsCalculation.hpp (modified) * src/Actions/AtomsCalculation_impl.hpp (modified) * src/Actions/Calculation.hpp (modified) * src/Actions/Calculation_impl.hpp (modified) * src/Actions/CommandAction/BondLengthTableAction.cpp (modified) * src/Actions/CommandAction/BondLengthTableAction.def (modified) * src/Actions/CommandAction/ElementDbAction.cpp (modified) * src/Actions/CommandAction/ElementDbAction.def (modified) * src/Actions/CommandAction/FastParsingAction.cpp (modified) * src/Actions/CommandAction/FastParsingAction.def (modified) * src/Actions/CommandAction/HelpAction.cpp (modified) * src/Actions/CommandAction/HelpAction.def (modified) * src/Actions/CommandAction/VerboseAction.cpp (modified) * src/Actions/CommandAction/VerboseAction.def (modified) * src/Actions/CommandAction/VersionAction.cpp (modified) * src/Actions/CommandAction/VersionAction.def (modified) * src/Actions/CommandAction/WarrantyAction.cpp (modified) * src/Actions/CommandAction/WarrantyAction.def (modified) * src/Actions/ErrorAction.cpp (modified) * src/Actions/ErrorAction.hpp (modified) * src/Actions/FragmentationAction/ConstructBondGraphAction.cpp (modified) * src/Actions/FragmentationAction/ConstructBondGraphAction.def (modified) * src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified) * src/Actions/FragmentationAction/DepthFirstSearchAction.def (modified) * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAction.def (modified) * src/Actions/FragmentationAction/SubgraphDissectionAction.cpp (modified) * src/Actions/FragmentationAction/SubgraphDissectionAction.def (modified) * src/Actions/Makefile.am (modified) * src/Actions/MakroAction.cpp (modified) * src/Actions/MakroAction.hpp (modified) * src/Actions/ManipulateAtomsProcess.cpp (modified) * src/Actions/ManipulateAtomsProcess.hpp (modified) * src/Actions/MapOfActions.cpp (deleted) * src/Actions/MapOfActions.hpp (deleted) * src/Actions/MethodAction.cpp (modified) * src/Actions/MethodAction.hpp (modified) * src/Actions/MoleculeAction/BondFileAction.cpp (modified) * src/Actions/MoleculeAction/BondFileAction.def (modified) * src/Actions/MoleculeAction/ChangeNameAction.cpp (modified) * src/Actions/MoleculeAction/ChangeNameAction.def (modified) * src/Actions/MoleculeAction/CopyAction.cpp (modified) * src/Actions/MoleculeAction/CopyAction.def (modified) * src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified) * src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp (modified) * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def (modified) * src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp (modified) * src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.def (modified) * src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified) * src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def (modified) * src/Actions/MoleculeAction/SaveAdjacencyAction.cpp (modified) * src/Actions/MoleculeAction/SaveAdjacencyAction.def (modified) * src/Actions/MoleculeAction/SaveBondsAction.cpp (modified) * src/Actions/MoleculeAction/SaveBondsAction.def (modified) * src/Actions/MoleculeAction/SaveTemperatureAction.cpp (modified) * src/Actions/MoleculeAction/SaveTemperatureAction.def (modified) * src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified) * src/Actions/MoleculeAction/SuspendInWaterAction.def (modified) * src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified) * src/Actions/MoleculeAction/VerletIntegrationAction.def (modified) * src/Actions/OptionRegistry.cpp (added) * src/Actions/OptionRegistry.hpp (added) * src/Actions/OptionTrait.cpp (added) * src/Actions/OptionTrait.hpp (added) * src/Actions/ParserAction/LoadXyzAction.cpp (modified) * src/Actions/ParserAction/LoadXyzAction.def (modified) * src/Actions/ParserAction/SaveXyzAction.cpp (modified) * src/Actions/ParserAction/SaveXyzAction.def (modified) * src/Actions/Process.cpp (modified) * src/Actions/Process.hpp (modified) * src/Actions/RedoAction.cpp (added) * src/Actions/RedoAction.def (added) * src/Actions/RedoAction.hpp (added) * src/Actions/SelectionAction/AllAtomsAction.cpp (modified) * src/Actions/SelectionAction/AllAtomsAction.def (modified) * src/Actions/SelectionAction/AllAtomsInsideCuboidAction.cpp (modified) * src/Actions/SelectionAction/AllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/AllAtomsInsideSphereAction.cpp (modified) * src/Actions/SelectionAction/AllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/AllAtomsOfMoleculeAction.cpp (modified) * src/Actions/SelectionAction/AllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/AllMoleculesAction.cpp (modified) * src/Actions/SelectionAction/AllMoleculesAction.def (modified) * src/Actions/SelectionAction/AtomByElementAction.cpp (modified) * src/Actions/SelectionAction/AtomByElementAction.def (modified) * src/Actions/SelectionAction/AtomByIdAction.cpp (modified) * src/Actions/SelectionAction/AtomByIdAction.def (modified) * src/Actions/SelectionAction/ClearAllAtomsAction.cpp (modified) * src/Actions/SelectionAction/ClearAllAtomsAction.def (modified) * src/Actions/SelectionAction/ClearAllMoleculesAction.cpp (modified) * src/Actions/SelectionAction/ClearAllMoleculesAction.def (modified) * src/Actions/SelectionAction/MoleculeByFormulaAction.cpp (modified) * src/Actions/SelectionAction/MoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/MoleculeByIdAction.cpp (modified) * src/Actions/SelectionAction/MoleculeByIdAction.def (modified) * src/Actions/SelectionAction/MoleculeOfAtomAction.cpp (modified) * src/Actions/SelectionAction/MoleculeOfAtomAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsAction.cpp (modified) * src/Actions/SelectionAction/NotAllAtomsAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsInsideCuboidAction.cpp (modified) * src/Actions/SelectionAction/NotAllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsInsideSphereAction.cpp (modified) * src/Actions/SelectionAction/NotAllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsOfMoleculeAction.cpp (modified) * src/Actions/SelectionAction/NotAllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/NotAllMoleculesAction.cpp (modified) * src/Actions/SelectionAction/NotAllMoleculesAction.def (modified) * src/Actions/SelectionAction/NotAtomByElementAction.cpp (modified) * src/Actions/SelectionAction/NotAtomByElementAction.def (modified) * src/Actions/SelectionAction/NotAtomByIdAction.cpp (modified) * src/Actions/SelectionAction/NotAtomByIdAction.def (modified) * src/Actions/SelectionAction/NotMoleculeByFormulaAction.cpp (modified) * src/Actions/SelectionAction/NotMoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/NotMoleculeByIdAction.cpp (modified) * src/Actions/SelectionAction/NotMoleculeByIdAction.def (modified) * src/Actions/SelectionAction/NotMoleculeOfAtomAction.cpp (modified) * src/Actions/SelectionAction/NotMoleculeOfAtomAction.def (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.cpp (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.def (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.def (modified) * src/Actions/UndoAction.cpp (added) * src/Actions/UndoAction.def (moved) * src/Actions/UndoAction.hpp (added) * src/Actions/ValueStorage.cpp (modified) * src/Actions/ValueStorage.hpp (modified) * src/Actions/WorldAction/AddEmptyBoundaryAction.cpp (modified) * src/Actions/WorldAction/AddEmptyBoundaryAction.def (modified) * src/Actions/WorldAction/BoundInBoxAction.cpp (modified) * src/Actions/WorldAction/BoundInBoxAction.def (modified) * src/Actions/WorldAction/CenterInBoxAction.cpp (modified) * src/Actions/WorldAction/CenterInBoxAction.def (modified) * src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified) * src/Actions/WorldAction/CenterOnEdgeAction.def (modified) * src/Actions/WorldAction/ChangeBoxAction.cpp (modified) * src/Actions/WorldAction/ChangeBoxAction.def (modified) * src/Actions/WorldAction/InputAction.cpp (modified) * src/Actions/WorldAction/InputAction.def (modified) * src/Actions/WorldAction/OutputAction.cpp (modified) * src/Actions/WorldAction/OutputAction.def (modified) * src/Actions/WorldAction/RepeatBoxAction.cpp (modified) * src/Actions/WorldAction/RepeatBoxAction.def (modified) * src/Actions/WorldAction/ScaleBoxAction.cpp (modified) * src/Actions/WorldAction/ScaleBoxAction.def (modified) * src/Actions/WorldAction/SetDefaultNameAction.cpp (modified) * src/Actions/WorldAction/SetDefaultNameAction.def (modified) * src/Actions/WorldAction/SetGaussianBasisAction.cpp (modified) * src/Actions/WorldAction/SetGaussianBasisAction.def (modified) * src/Actions/WorldAction/SetOutputFormatsAction.cpp (modified) * src/Actions/WorldAction/SetOutputFormatsAction.def (modified) * src/Actions/convert5.sh (added) * src/CommandLineParser.cpp (deleted) * src/Makefile.am (modified) * src/Patterns/Registry.hpp (modified) * src/Patterns/Registry_impl.hpp (modified) * src/UIElements/CommandLineUI/CommandLineParser.cpp (added) * src/UIElements/CommandLineUI/CommandLineParser.hpp (moved) * src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified) * src/UIElements/CommandLineUI/Query/AtomCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/AtomsCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/BooleanCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/BoxCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/DoubleCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/DoublesCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/ElementCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/ElementsCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/EmptyCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/FileCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/IntCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/IntsCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/MoleculeCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/MoleculesCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/StringCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/StringsCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/VectorCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/Query/VectorsCommandLineQuery.cpp (modified) * src/UIElements/CommandLineUI/TypeEnumContainer.cpp (added) * src/UIElements/CommandLineUI/TypeEnumContainer.hpp (added) * src/UIElements/Dialog.cpp (modified) * src/UIElements/Dialog.hpp (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Menu/MenuDescription.cpp (modified) * src/UIElements/Menu/MenuDescription.hpp (modified) * src/UIElements/Menu/TextMenu.cpp (modified) * src/UIElements/Menu/TextMenu.hpp (modified) * src/UIElements/Qt4/Pipe/AtomQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/AtomsQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/MoleculeQtQueryPipe.cpp (modified) * src/UIElements/Qt4/Pipe/MoleculesQtQueryPipe.cpp (modified) * src/UIElements/Qt4/QtDialog.hpp (modified) * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/TextUI/TextWindow.cpp (modified) * src/UIElements/TextUI/TextWindow.hpp (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/World_calculations.hpp (modified) * src/builder.cpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_dynamics.cpp (modified) * src/molecule_graph.cpp (modified) * src/unittests/ActionSequenceTest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/MenuDescriptionUnitTest.cpp (modified) * src/unittests/MenuDescriptionUnitTest.hpp (modified) * src/unittests/RegistryUnitTest.cpp (added) * src/unittests/RegistryUnitTest.hpp (added) * src/unittests/atomsCalculationTest.cpp (modified) * tests/regression/testsuite-simple_configuration.at (modified) Huge refactoring: Introduction of Traits to Actions. This change is ... Sat, 30 Oct 2010 19:53:44 GMT Frederik Heber [23359f] * src/Helpers/Assert.cpp (modified) * src/Helpers/Assert.hpp (modified) Assert's internal check now uses std::string instead of const char *. ... Sat, 30 Oct 2010 19:33:42 GMT Frederik Heber [c1012b] * src/UIElements/Menu/TextMenu.cpp (modified) * src/UIElements/Menu/TextMenu.hpp (modified) Constructor of TextMenu now takes const string as 2nd argument. Sat, 30 Oct 2010 19:31:15 GMT Frederik Heber [20d46c] * src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified) FIX: Removed unnecessary MapOfActions include. Sat, 30 Oct 2010 19:27:57 GMT Frederik Heber [53be34] * src/Actions/ActionTraits.cpp (modified) * src/Actions/ActionTraits.hpp (modified) * src/Actions/Action_impl_header.hpp (modified) ActionTraits returns also MenuName(), MenuPosition(), and also ... Sat, 30 Oct 2010 19:25:29 GMT Frederik Heber [8bcf3f] * src/UIElements/Makefile.am (modified) * src/UIElements/Menu/MenuDescription.cpp (added) * src/UIElements/Menu/MenuDescription.hpp (added) * src/unittests/Makefile.am (modified) * src/unittests/MenuDescriptionUnitTest.cpp (added) * src/unittests/MenuDescriptionUnitTest.hpp (added) New class MenuDescription containing information on menu items. - ... Sat, 30 Oct 2010 19:22:34 GMT Frederik Heber [d57341] * src/Actions/AnalysisAction/MolecularVolumeAction.def (modified) * src/Actions/AnalysisAction/PairCorrelationAction.def (modified) * src/Actions/AnalysisAction/PointCorrelationAction.def (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.def (modified) * src/Actions/AtomAction/AddAction.def (modified) * src/Actions/AtomAction/ChangeElementAction.def (modified) * src/Actions/AtomAction/RotateAroundOriginByAngleAction.def (modified) * src/Actions/AtomAction/TranslateAction.def (modified) * src/Actions/CommandAction/BondLengthTableAction.def (modified) * src/Actions/CommandAction/ElementDbAction.def (modified) * src/Actions/CommandAction/FastParsingAction.def (modified) * src/Actions/CommandAction/VerboseAction.def (modified) * src/Actions/FragmentationAction/DepthFirstSearchAction.def (modified) * src/Actions/FragmentationAction/FragmentationAction.def (modified) * src/Actions/MoleculeAction/BondFileAction.def (modified) * src/Actions/MoleculeAction/ChangeNameAction.def (modified) * src/Actions/MoleculeAction/CopyAction.def (modified) * src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def (modified) * src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.def (modified) * src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def (modified) * src/Actions/MoleculeAction/SaveAdjacencyAction.def (modified) * src/Actions/MoleculeAction/SaveBondsAction.def (modified) * src/Actions/MoleculeAction/SaveTemperatureAction.def (modified) * src/Actions/MoleculeAction/SuspendInWaterAction.def (modified) * src/Actions/MoleculeAction/VerletIntegrationAction.def (modified) * src/Actions/ParserAction/LoadXyzAction.def (modified) * src/Actions/ParserAction/SaveXyzAction.def (modified) * src/Actions/SelectionAction/AllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/AllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/AllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/AtomByElementAction.def (modified) * src/Actions/SelectionAction/AtomByIdAction.def (modified) * src/Actions/SelectionAction/MoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/MoleculeByIdAction.def (modified) * src/Actions/SelectionAction/MoleculeOfAtomAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/NotAtomByElementAction.def (modified) * src/Actions/SelectionAction/NotAtomByIdAction.def (modified) * src/Actions/SelectionAction/NotMoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/NotMoleculeByIdAction.def (modified) * src/Actions/SelectionAction/NotMoleculeOfAtomAction.def (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.def (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.def (modified) * src/Actions/WorldAction/AddEmptyBoundaryAction.def (modified) * src/Actions/WorldAction/CenterInBoxAction.def (modified) * src/Actions/WorldAction/ChangeBoxAction.def (modified) * src/Actions/WorldAction/InputAction.def (modified) * src/Actions/WorldAction/RepeatBoxAction.def (modified) * src/Actions/WorldAction/ScaleBoxAction.def (modified) * src/Actions/WorldAction/SetDefaultNameAction.def (modified) * src/Actions/WorldAction/SetGaussianBasisAction.def (modified) * src/Actions/WorldAction/SetOutputFormatsAction.def (modified) * src/Actions/convert4.sh (added) Replaced ACTION::NAME in .def files by contents DESCRPTION. - in ... Sat, 30 Oct 2010 19:19:31 GMT Frederik Heber [052bfd8] * src/Actions/AnalysisAction/MolecularVolumeAction.def (modified) * src/Actions/AnalysisAction/PairCorrelationAction.def (modified) * src/Actions/AnalysisAction/PointCorrelationAction.def (modified) * src/Actions/AnalysisAction/PrincipalAxisSystemAction.def (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.def (modified) * src/Actions/AtomAction/AddAction.def (modified) * src/Actions/AtomAction/ChangeElementAction.def (modified) * src/Actions/AtomAction/Remove.def (modified) * src/Actions/AtomAction/RemoveAction.def (modified) * src/Actions/AtomAction/RotateAroundOriginByAngleAction.def (modified) * src/Actions/AtomAction/TranslateAction.def (modified) * src/Actions/CommandAction/BondLengthTableAction.def (modified) * src/Actions/CommandAction/ElementDbAction.def (modified) * src/Actions/CommandAction/FastParsingAction.def (modified) * src/Actions/CommandAction/HelpAction.def (modified) * src/Actions/CommandAction/VerboseAction.def (modified) * src/Actions/CommandAction/VersionAction.def (modified) * src/Actions/CommandAction/WarrantyAction.def (modified) * src/Actions/FragmentationAction/ConstructBondGraphAction.def (modified) * src/Actions/FragmentationAction/DepthFirstSearchAction.def (modified) * src/Actions/FragmentationAction/FragmentationAction.def (modified) * src/Actions/FragmentationAction/SubgraphDissectionAction.def (modified) * src/Actions/MoleculeAction/BondFileAction.def (modified) * src/Actions/MoleculeAction/ChangeNameAction.def (modified) * src/Actions/MoleculeAction/CopyAction.def (modified) * src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def (modified) * src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.def (modified) * src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def (modified) * src/Actions/MoleculeAction/SaveAdjacencyAction.def (modified) * src/Actions/MoleculeAction/SaveBondsAction.def (modified) * src/Actions/MoleculeAction/SaveTemperatureAction.def (modified) * src/Actions/MoleculeAction/SuspendInWaterAction.def (modified) * src/Actions/MoleculeAction/VerletIntegrationAction.def (modified) * src/Actions/ParserAction/LoadXyzAction.def (modified) * src/Actions/ParserAction/SaveXyzAction.def (modified) * src/Actions/SelectionAction/AllAtomsAction.def (modified) * src/Actions/SelectionAction/AllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/AllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/AllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/AllMoleculesAction.def (modified) * src/Actions/SelectionAction/AtomByElementAction.def (modified) * src/Actions/SelectionAction/AtomByIdAction.def (modified) * src/Actions/SelectionAction/ClearAllAtomsAction.def (modified) * src/Actions/SelectionAction/ClearAllMoleculesAction.def (modified) * src/Actions/SelectionAction/MoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/MoleculeByIdAction.def (modified) * src/Actions/SelectionAction/MoleculeOfAtomAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/NotAllMoleculesAction.def (modified) * src/Actions/SelectionAction/NotAtomByElementAction.def (modified) * src/Actions/SelectionAction/NotAtomByIdAction.def (modified) * src/Actions/SelectionAction/NotMoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/NotMoleculeByIdAction.def (modified) * src/Actions/SelectionAction/NotMoleculeOfAtomAction.def (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.def (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.def (modified) * src/Actions/WorldAction/AddEmptyBoundaryAction.def (modified) * src/Actions/WorldAction/BoundInBoxAction.def (modified) * src/Actions/WorldAction/CenterInBoxAction.def (modified) * src/Actions/WorldAction/CenterOnEdgeAction.def (modified) * src/Actions/WorldAction/ChangeBoxAction.def (modified) * src/Actions/WorldAction/InputAction.def (modified) * src/Actions/WorldAction/OutputAction.def (modified) * src/Actions/WorldAction/RepeatBoxAction.def (modified) * src/Actions/WorldAction/ScaleBoxAction.def (modified) * src/Actions/WorldAction/SetDefaultNameAction.def (modified) * src/Actions/WorldAction/SetGaussianBasisAction.def (modified) * src/Actions/WorldAction/SetOutputFormatsAction.def (modified) * src/Actions/convert3.sh (added) Added MENUNAME and MENUPOSITION to each Action's .def. - MENUNAME ... Sat, 30 Oct 2010 19:19:25 GMT Frederik Heber [fc192f] * src/Actions/AnalysisAction/MolecularVolumeAction.def (modified) * src/Actions/AnalysisAction/PairCorrelationAction.def (modified) * src/Actions/AnalysisAction/PointCorrelationAction.def (modified) * src/Actions/AnalysisAction/PrincipalAxisSystemAction.def (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.def (modified) * src/Actions/AtomAction/AddAction.def (modified) * src/Actions/AtomAction/ChangeElementAction.def (modified) * src/Actions/AtomAction/Remove.def (modified) * src/Actions/AtomAction/RemoveAction.def (modified) * src/Actions/AtomAction/RotateAroundOriginByAngleAction.def (modified) * src/Actions/AtomAction/TranslateAction.def (modified) * src/Actions/CommandAction/BondLengthTableAction.def (modified) * src/Actions/CommandAction/ElementDbAction.def (modified) * src/Actions/CommandAction/FastParsingAction.def (modified) * src/Actions/CommandAction/HelpAction.def (modified) * src/Actions/CommandAction/VerboseAction.def (modified) * src/Actions/CommandAction/VersionAction.def (modified) * src/Actions/CommandAction/WarrantyAction.def (modified) * src/Actions/FragmentationAction/ConstructBondGraphAction.def (modified) * src/Actions/FragmentationAction/DepthFirstSearchAction.def (modified) * src/Actions/FragmentationAction/FragmentationAction.def (modified) * src/Actions/FragmentationAction/SubgraphDissectionAction.def (modified) * src/Actions/MoleculeAction/BondFileAction.def (modified) * src/Actions/MoleculeAction/ChangeNameAction.def (modified) * src/Actions/MoleculeAction/CopyAction.def (modified) * src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def (modified) * src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.def (modified) * src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def (modified) * src/Actions/MoleculeAction/SaveAdjacencyAction.def (modified) * src/Actions/MoleculeAction/SaveBondsAction.def (modified) * src/Actions/MoleculeAction/SaveTemperatureAction.def (modified) * src/Actions/MoleculeAction/SuspendInWaterAction.def (modified) * src/Actions/MoleculeAction/VerletIntegrationAction.def (modified) * src/Actions/ParserAction/LoadXyzAction.def (modified) * src/Actions/ParserAction/SaveXyzAction.def (modified) * src/Actions/SelectionAction/AllAtomsAction.def (modified) * src/Actions/SelectionAction/AllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/AllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/AllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/AllMoleculesAction.def (modified) * src/Actions/SelectionAction/AtomByElementAction.def (modified) * src/Actions/SelectionAction/AtomByIdAction.def (modified) * src/Actions/SelectionAction/ClearAllAtomsAction.def (modified) * src/Actions/SelectionAction/ClearAllMoleculesAction.def (modified) * src/Actions/SelectionAction/MoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/MoleculeByIdAction.def (modified) * src/Actions/SelectionAction/MoleculeOfAtomAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/NotAllMoleculesAction.def (modified) * src/Actions/SelectionAction/NotAtomByElementAction.def (modified) * src/Actions/SelectionAction/NotAtomByIdAction.def (modified) * src/Actions/SelectionAction/NotMoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/NotMoleculeByIdAction.def (modified) * src/Actions/SelectionAction/NotMoleculeOfAtomAction.def (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.def (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.def (modified) * src/Actions/WorldAction/AddEmptyBoundaryAction.def (modified) * src/Actions/WorldAction/BoundInBoxAction.def (modified) * src/Actions/WorldAction/CenterInBoxAction.def (modified) * src/Actions/WorldAction/CenterOnEdgeAction.def (modified) * src/Actions/WorldAction/ChangeBoxAction.def (modified) * src/Actions/WorldAction/InputAction.def (modified) * src/Actions/WorldAction/OutputAction.def (modified) * src/Actions/WorldAction/RepeatBoxAction.def (modified) * src/Actions/WorldAction/ScaleBoxAction.def (modified) * src/Actions/WorldAction/SetDefaultNameAction.def (modified) * src/Actions/WorldAction/SetGaussianBasisAction.def (modified) * src/Actions/WorldAction/SetOutputFormatsAction.def (modified) * src/Actions/convert2.sh (added) Added paramdescriptions to the .def of all Actions. - option ... Sat, 30 Oct 2010 18:44:29 GMT Frederik Heber [24fbf3] * src/Actions/Action_impl_header.hpp (modified) * src/Actions/AnalysisAction/MolecularVolumeAction.def (modified) * src/Actions/AnalysisAction/PairCorrelationAction.def (modified) * src/Actions/AnalysisAction/PointCorrelationAction.def (modified) * src/Actions/AnalysisAction/PrincipalAxisSystemAction.def (modified) * src/Actions/AnalysisAction/SurfaceCorrelationAction.def (modified) * src/Actions/AtomAction/AddAction.def (modified) * src/Actions/AtomAction/ChangeElementAction.def (modified) * src/Actions/AtomAction/Remove.def (modified) * src/Actions/AtomAction/RemoveAction.def (modified) * src/Actions/AtomAction/RotateAroundOriginByAngleAction.def (modified) * src/Actions/AtomAction/TranslateAction.def (modified) * src/Actions/CommandAction/BondLengthTableAction.def (modified) * src/Actions/CommandAction/ElementDbAction.def (modified) * src/Actions/CommandAction/FastParsingAction.def (modified) * src/Actions/CommandAction/HelpAction.def (modified) * src/Actions/CommandAction/VerboseAction.def (modified) * src/Actions/CommandAction/VersionAction.def (modified) * src/Actions/CommandAction/WarrantyAction.def (modified) * src/Actions/FragmentationAction/ConstructBondGraphAction.def (modified) * src/Actions/FragmentationAction/DepthFirstSearchAction.def (modified) * src/Actions/FragmentationAction/FragmentationAction.def (modified) * src/Actions/FragmentationAction/SubgraphDissectionAction.def (modified) * src/Actions/MoleculeAction/BondFileAction.def (modified) * src/Actions/MoleculeAction/ChangeNameAction.def (modified) * src/Actions/MoleculeAction/CopyAction.def (modified) * src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/FillWithMoleculeAction.def (modified) * src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def (modified) * src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.def (modified) * src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def (modified) * src/Actions/MoleculeAction/SaveAdjacencyAction.def (modified) * src/Actions/MoleculeAction/SaveBondsAction.def (modified) * src/Actions/MoleculeAction/SaveTemperatureAction.def (modified) * src/Actions/MoleculeAction/SuspendInWaterAction.def (modified) * src/Actions/MoleculeAction/VerletIntegrationAction.def (modified) * src/Actions/ParserAction/LoadXyzAction.def (modified) * src/Actions/ParserAction/SaveXyzAction.def (modified) * src/Actions/SelectionAction/AllAtomsAction.def (modified) * src/Actions/SelectionAction/AllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/AllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/AllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/AllMoleculesAction.def (modified) * src/Actions/SelectionAction/AtomByElementAction.def (modified) * src/Actions/SelectionAction/AtomByIdAction.def (modified) * src/Actions/SelectionAction/ClearAllAtomsAction.def (modified) * src/Actions/SelectionAction/ClearAllMoleculesAction.def (modified) * src/Actions/SelectionAction/MoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/MoleculeByIdAction.def (modified) * src/Actions/SelectionAction/MoleculeOfAtomAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsInsideCuboidAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsInsideSphereAction.def (modified) * src/Actions/SelectionAction/NotAllAtomsOfMoleculeAction.def (modified) * src/Actions/SelectionAction/NotAllMoleculesAction.def (modified) * src/Actions/SelectionAction/NotAtomByElementAction.def (modified) * src/Actions/SelectionAction/NotAtomByIdAction.def (modified) * src/Actions/SelectionAction/NotMoleculeByFormulaAction.def (modified) * src/Actions/SelectionAction/NotMoleculeByIdAction.def (modified) * src/Actions/SelectionAction/NotMoleculeOfAtomAction.def (modified) * src/Actions/TesselationAction/ConvexEnvelopeAction.def (modified) * src/Actions/TesselationAction/NonConvexEnvelopeAction.def (modified) * src/Actions/WorldAction/AddEmptyBoundaryAction.def (modified) * src/Actions/WorldAction/BoundInBoxAction.def (modified) * src/Actions/WorldAction/CenterInBoxAction.def (modified) * src/Actions/WorldAction/CenterOnEdgeAction.def (modified) * src/Actions/WorldAction/ChangeBoxAction.def (modified) * src/Actions/WorldAction/InputAction.def (modified) * src/Actions/WorldAction/OutputAction.def (modified) * src/Actions/WorldAction/RepeatBoxAction.def (modified) * src/Actions/WorldAction/ScaleBoxAction.def (modified) * src/Actions/WorldAction/SetDefaultNameAction.def (modified) * src/Actions/WorldAction/SetGaussianBasisAction.def (modified) * src/Actions/WorldAction/SetOutputFormatsAction.def (modified) * src/Actions/convert.sh (added) All specialization of ActionTraits now contain specific information. ... Sat, 30 Oct 2010 18:44:29 GMT Frederik Heber [2a6a2c] * src/Actions/Action_impl_pre.hpp (modified) * src/Actions/MapOfActions.cpp (modified) * src/Actions/MapOfActions.hpp (modified) * src/Patterns/Registry_impl.hpp (modified) * src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified) * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/TextUI/TextWindow.cpp (modified) Removed MapOfActions::populateActions(). - Action prototypes are ... Sat, 30 Oct 2010 18:44:29 GMT Frederik Heber [bc2990] * src/Actions/Action_impl_header.hpp (modified) * src/Actions/Action_impl_pre.hpp (modified) * src/UIElements/Qt4/QtMainWindow.cpp (modified) * src/UIElements/TextUI/TextWindow.cpp (modified) Using ActionTraits::getDescrption instead of MapOfActions::... - ... Sat, 30 Oct 2010 18:44:29 GMT Frederik Heber [4885f85] * src/Actions/MapOfActions.cpp (modified) * src/Actions/MapOfActions.hpp (modified) * src/Actions/ValueStorage.cpp (modified) * src/Actions/ValueStorage.hpp (modified) Introduced new getters to MapOfActions and ValueStorage. - new ... Sat, 30 Oct 2010 18:44:28 GMT Frederik Heber [a8188d] * src/Actions/MapOfActions.cpp (modified) * src/Actions/MapOfActions.hpp (modified) Renaming MapOfActions::CurrentValue -> CurrentValueMap. Sat, 30 Oct 2010 18:44:28 GMT Frederik Heber [df32ee] * src/Actions/Action.cpp (modified) * src/Actions/Action.hpp (modified) * src/Actions/ActionTraits.cpp (added) * src/Actions/ActionTraits.hpp (added) * src/Actions/Action_impl_header.hpp (modified) * src/Actions/Makefile.am (modified) New class ActionTrait(s). - ActionTrait is the template class that ...