source: molecuilder/src

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Diff Rev Age Author Log Message
(edit) @41182a   16 years Till Crueger Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring …
(edit) @931903   16 years Till Crueger Made embeddMolecules menu-point use the new dialog framework
(edit) @1630ce   16 years Till Crueger Used new Query Infrastructure for SimpleAdd menupoint
(edit) @3896fc   16 years Till Crueger Added infrastructure to query molecules from MoleculeList
(edit) @f89c1c   16 years Till Crueger Changed dialog structure to use objects for queries.
(edit) @c489d9   16 years Till Crueger Removed some unessecary methods from oldMenu
(edit) @d97af9   16 years Till Crueger Seperated building of mainWindow and contained Menus - Moved code to …
(edit) @3e8325   16 years Till Crueger Added a central registry that allows access to actions by name.
(edit) @34ff5e6   16 years Till Crueger Added support for creating a main window using the UIFactory.
(edit) @6d21bd   16 years Till Crueger Added Basis for creating globally accessible and compatible UIElements …
(edit) @53f5e6   16 years Till Crueger Transitioned MergeMolecule Menu to new menu structure
(edit) @70c4aa6   16 years Till Crueger Extracted all methods from MergeMolecules Menu - Added new action …
(edit) @538744   16 years Till Crueger Moved saveConfig method from oldmenu to a method inside config class
(edit) @16f86d   16 years Till Crueger Removed unecessary method stubs from oldmenu class
(edit) @f48622   16 years Till Crueger Moved several Methods from Menu to MoleculeListClass
(edit) @c7dcff   16 years Till Crueger Made EditMoleculesMenu a Submenu inside the MainMenu
(edit) @1f137d   16 years Till Crueger Transitioned EditMoleculesMenu to new menu structure
(edit) @077f6e   16 years Till Crueger Extracted several methods from the EditMolecules Submenu.
(edit) @aa117c   16 years Till Crueger Added possibility to add default Items to textMenus
(edit) @fab853   16 years Till Crueger Moved flipChosen method from oldmenu to MoleculeListClass
(edit) @8d24e2   16 years Till Crueger Added more tests for Actionsequence - Test if every included object …
(edit) @0310b8   16 years FrederikHeber Non-convex tesselation seems to be working. Seems like it has been …
(edit) @93df03f   16 years Till Crueger Added unittest for ActionSequence.
(edit) @f3dd95   16 years Till Crueger Removed legacy code from old menu structure.
(edit) @32df34   16 years Till Crueger Added an action that allows grouping and grouped execution of several …
(edit) @425da9   16 years Till Crueger Added mechanism that allow to store and later execute sequences of Actions.
(edit) @281324   16 years FrederikHeber Merge branch 'FixTestSuite' into FixDegeneratedTesselation
(edit) @230b16   16 years FrederikHeber Merge branch 'FixVersioning2' into FixDegeneratedTesselation
(edit) @16f34d   16 years FrederikHeber Fixing the testsuite. - Putting performCriticalExit() everywhere …
(edit) @b7f3f3   16 years FrederikHeber Removed --tags as we have signed the "initial_commit" tag. - git …
(edit) @da09909   16 years Till Crueger Improved documentation for menu framework.
(edit) @212c827   16 years FrederikHeber Finished transformation of main menu. Signed-off-by: Tillmann Crueger …
(edit) @62e23d   16 years FrederikHeber Rebuilt SubMenuItem to use inclusion (Strategy pattern) instead of …
(edit) @f00f02   16 years FrederikHeber Added method to flip ActiveFlag for single molecules. Signed-off-by: …
(edit) @2309fa   16 years FrederikHeber Added Title to DisplayMenuItems. Signed-off-by: Tillmann Crueger …
(edit) @057b77   16 years FrederikHeber Small fix to delete the complete menu. Signed-off-by: Tillmann …
(edit) @df55a0   16 years FrederikHeber Added basic View functionality. - Added DisplayMenuItem to show …
(edit) @7cb300   16 years FrederikHeber Changed formating of menus and added protection to keep MenuItems from …
(edit) @45ff42   16 years FrederikHeber Fixed memory leak in TextMenu Signed-off-by: Tillmann Crueger …
(edit) @381df6   16 years FrederikHeber Rebuild the main menu using the new structure as far as possible. …
(edit) @d20ed5   16 years FrederikHeber Added basic menu and action framework - Added action base class - …
(edit) @1b4d9f   16 years FrederikHeber Minor changes to menu::SaveConfig() Signed-off-by: Tillmann Crueger …
(edit) @7df43b   16 years FrederikHeber Started refactoring of the menu. - Created new menu class - moved all …
(edit) @65f1dba   16 years FrederikHeber Fix attempts of the Tesselation. One problem still remains: - …
(edit) @59b70a   16 years FrederikHeber FIX: MatrixContainer::ParseMatrix() should not call …
(edit) @35f733   16 years FrederikHeber BUGFIX: delete(mol) belongs to the commented-out …
(edit) @ef87ee   16 years FrederikHeber Added versioning to each executable. - credits to Ralf Wildenhues for …
(edit) @246a3c   16 years FrederikHeber The finding of the degenerated polygons' endpoints was not yet …
(edit) @ea3627   16 years FrederikHeber Correction of degenerated polygons is working. - Correction of …
(edit) @f7490d   16 years FrederikHeber First compiling version of CorrectDegeneratedPolygons. - several new …
(edit) @65d6b3   16 years FrederikHeber Rename of internal variable due to upcoming name-conflict with …
(edit) @a68d44   16 years FrederikHeber removing automatic dissection on loading, Tesselations test now checks …
(edit) @013ad57   16 years FrederikHeber BUGFIX: testcase heptan was not correctly tesselated, as edges of a …
(edit) @3aa635   16 years FrederikHeber Tesselation::FindStartingTriangle() now also uses …
(edit) @be2997   16 years FrederikHeber Multi-Candidate-Add included and incorporated class Info into …
(edit) @edf611   16 years FrederikHeber New Info class that contains a global verbosity level, increased per …
(edit) @4af89b   16 years FrederikHeber Now the best (in terms of ShortestAngle) baseline is picked among all …
(edit) @1a3354   16 years FrederikHeber BUGFIX atom::CorrectBonDegree() wrongly increased bond degrees. - …
(edit) @cc9225   16 years FrederikHeber Fixes and naming of final Tecplot output file is now molecule name. - …
(edit) @7d1ad9   16 years FrederikHeber bugfix to errorLogger and some error verbosity changes. - BUGFIX: …
(edit) @3d4969   16 years FrederikHeber Fixing ticket #18. - each eLog() << Verbose(0) is now followed by …
(edit) @418117a   16 years FrederikHeber Verbosity corrected for ERROR and WARNING - present ERROR and WARNING …
(edit) @09d3b8   16 years FrederikHeber Attempt to fix tesselation for case 1_2-dimethylbenzene. - The issue …
(edit) @2fbbc96   16 years FrederikHeber Only biggest molecule is tesselated for now in …
(edit) @548cbf   16 years FrederikHeber BUGFIX: Output is again indented, errorLogger prefixes according to …
(edit) @e960b1   16 years FrederikHeber BUGFIX: unnecessary include in header, file not closed in definition …
(edit) @e462b3   16 years FrederikHeber Two new bond analysis functions. - GetMaxMinMeanBondCount() - …
(edit) @1fcedd   16 years FrederikHeber New function bond::GetDistance...() - bond::GetDistance() and …
(edit) @486aa5   16 years FrederikHeber Added config::SavePDB() and config::SaveMPQC(). - note: for CODICE we …
(edit) @341850   16 years FrederikHeber Added initial analysis_bonds.cpp and unit test for Analysis of bonds. …
(edit) @fc420f   16 years FrederikHeber LEAKFIX: FillBoxWithMolecule() had mismatch delete/delete[] - …
(edit) @4ef101   16 years FrederikHeber LEAKFIX: ReturnFullMatrixForSymmetric() and InverseMatrix() have …
(edit) @543ce4   16 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
(edit) @ec70ec   16 years FrederikHeber Merge branch 'CodeRefactoring' of …
(edit) @5f1d021   16 years FrederikHeber Periodic variants of AnalysisPair...() implemented. - BUGFIX: …
(edit) @20895b   16 years FrederikHeber Extension to the periodic boundary case for analysis_correlation.cpp …
(edit) @c1b76e   16 years FrederikHeber config::Load() refactored: Dissection into connected subgraphs -> …
(edit) @e1900f   16 years FrederikHeber Closed ticket #48 (AnalysisCorrelation...() take MoleculeListClass …
(edit) @4efdad   16 years FrederikHeber BUGFIX: Allocated one molecule too much in config::Load(). - Count() …
(edit) @a3ffb44   16 years FrederikHeber Closing ticket #47, case 'C' uses biggest molecule as surface for pair …
(edit) @c1b4a4   16 years FrederikHeber "not working parsed molecule into subgraph splitting"-BUG fixed, …
(edit) @08b88b   16 years FrederikHeber Fixing not created adjacency list, partially fixing subgraph …
(edit) @5f9f8b   16 years FrederikHeber Removed libmolecuilder linking from unit tests where only some few …
(edit) @8bc524   16 years FrederikHeber Several memory bugfixes (thx valgrind). - main() - shortened case …
(edit) @df0520   16 years FrederikHeber Small changes. - VolumeOfConvexEnvelope() - setprecision corrected - …
(edit) @245826   16 years FrederikHeber BondGraph is initialized within config::Load(), as it has to happen …
(edit) @b84ab4   16 years FrederikHeber BondGraph is parsed if command line switch '-g' is given. - …
(edit) @96d8dc   16 years Saskia Metzler Ticket 43 Create a logging class The verbosity level can now be …
(edit) @5f697c   16 years FrederikHeber New class BondGraph. - BondGraph parses a file containing bond …
(edit) @bc8155   16 years FrederikHeber Test code is moved to its own source subdirectory: test. - …
(edit) @92fc40   16 years FrederikHeber Added Unit test for StackClass. - was former …
(edit) @dbc152   16 years FrederikHeber Refactored StackClass with respect to tickets #38, #4. - #38 make …
(edit) @6d7651   16 years FrederikHeber Refactored tesselationhelpers.cpp with respect to ticket #38 (make …
(edit) @069034   16 years FrederikHeber class config, ConfigFileBuffer, periodentafel and Vector are …
(edit) @a9b2a0a   16 years FrederikHeber Huge refactoring to make const what is const (ticket #38), continued. …
(edit) @55a71b   16 years FrederikHeber analyzer.cpp and boundary.cpp refactored. - ticket #39 is done with …
(edit) @8b6ee4   16 years FrederikHeber Begun with ticket #4 (shorten constructors) on class atom and class …
(edit) @94d0ad   16 years FrederikHeber Begun with ticket #38 (make const what is const). - basically all …
(edit) @2e6aa1   16 years FrederikHeber ..._CPPFLAGS and ..._LDFLAGS in unittests/Makefile.am put into global …
(edit) @2e2a70   16 years FrederikHeber Refactored atom.cpp into multiple files. After the class atom was …
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