source: molecuilder/src

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Diff Rev Age Author Log Message
(edit) @025ca2   15 years Till Crueger Made the World Iterators conform to STL-Structure
(edit) @f058ef   15 years Till Crueger Added methods to query Molecules by ID
(edit) @3746aeb   15 years Till Crueger Added mechanisms that allow reuse of IDs and changing Ids of Atoms
(edit) @14d898   15 years Till Crueger Added methods for querying molecules using descriptors
(edit) @78b9d9   15 years Till Crueger Improved Doxygen documentation
(edit) @dc5413   15 years Till Crueger Merge branch 'FreddiesRefactoring' into StructureRefactoring …
(edit) @e65cc0   15 years Till Crueger Small fixes
(edit) @98a2987   15 years Till Crueger Added -Wall flag and fixed several small hickups
(edit) @33bc66   15 years Till Crueger Changed the type of AtomIds and MoleculeIds to an opaque type
(edit) @45cc89   15 years FrederikHeber MEMLEAK: In many tests World, MemoryUsageObserver, logger or …
(edit) @031ec24   15 years FrederikHeber FIX: Values have been used uninitialized.
(edit) @ececad   15 years FrederikHeber MEMLEAK: TesselPoints and Vectors created during …
(edit) @edbe74   15 years FrederikHeber MEMLEAK: Lots of Free() have been forgotten after Malloc's at start of …
(edit) @06e3ff   15 years FrederikHeber FIX: operator implementation of Vector algebra was wrong and caused …
(edit) @81c129   15 years FrederikHeber FIX: Values in FindNonConvexBorder() and …
(edit) @7a9881   15 years FrederikHeber FIX: Replaced memoryusageobserverunittest.hpp include by correct …
(edit) @3db67e   15 years Till Crueger FIX: repaired some access violation of STL-iterators in Observer and …
(edit) @8d9d38   15 years Till Crueger Made the world solely responsible for creating and erasing molecules.
(edit) @a7917d   15 years FrederikHeber MEMLEAK: mismatched delete/free, matrix in GSLMatrix::Transpose() was …
(edit) @828556   15 years FrederikHeber FIX: constructor of element now is shortened and all its member …
(edit) @5c9ba2   15 years FrederikHeber MEMLEAK: Tesselation::CorrectAllDegeneratedPolygons() forgot to remove …
(edit) @a0fcfb   15 years FrederikHeber MEMLEAK: World class did not neither signOff() nor remove its …
(edit) @39fef2   15 years FrederikHeber MEMLEAK: ActOnAllTest forgot to delete the copied VectorList Ref and …
(edit) @d06198   15 years FrederikHeber MEMLEAK: created ActionSequence was not deleted at the end of some tests.
(edit) @36c5cf   15 years FrederikHeber MEMLEAK: Observable::signOff() erases its own iterator, some more …
(edit) @44becc   15 years FrederikHeber Tests now work with Eclipse ECUT's TestRunner. - new switch in …
(edit) @2e6496   15 years Till Crueger Removed unittest files from the documentation
(edit) @a1a532   15 years Till Crueger moved Iterators for the World to a seperate file
(edit) @bb89b9   15 years Till Crueger Added overloaded methods for all methods in the world taking an …
(edit) @e7e088   15 years Till Crueger Added Descriptor that allows querying of atoms by their type
(edit) @5bf941   15 years Till Crueger Improved documentation of the World-class
(edit) @7bfc19   15 years Till Crueger Made the world solely responsible for creating and destroying atoms.
(edit) @01d28a   16 years Till Crueger Added templates that allow arbitrary calculations on atoms to be …
(edit) @9ef76a   16 years Till Crueger Added a mechanism that allows the world to track changes done by the …
(edit) @5d4edf   16 years Till Crueger Added a class that allows constructing Processes that have a result
(edit) @cbc27f   16 years Till Crueger Added a method that allows manipulation of selected atoms
(edit) @a5471c   16 years Till Crueger Added iterator structure that allows iterating over selected atoms in …
(edit) @536380   16 years Till Crueger Added a progress indicator for the text menu
(edit) @b53a7e   16 years Till Crueger Added a special class of Actions that take some time.
(edit) @120f8b   16 years Till Crueger Moved control of molecules and periode to World.
(edit) @323177   16 years Till Crueger Rebuilt AtomDescriptors using PIMPL-Idiom and added unittest for …
(edit) @973c03   16 years Till Crueger Improved Descriptor mechanism to allow calculations using descriptors.
(edit) @86b917   16 years Till Crueger Added descriptors that allow multiple kinds of access to atoms
(edit) @d2d8f5   16 years Till Crueger Made all atoms register themselves with the world upon creation
(edit) @42918b   16 years Till Crueger Fixed some problems with the usage of Boost::threads
(edit) @181488   16 years Till Crueger Added a directory to quarantine files that should be completely …
(edit) @b9f422   16 years Till Crueger Made the Observer RAII-Pattern more secure.
(edit) @8501eb   16 years Till Crueger Changed all observed places to new observer structure
(edit) @bc1fbf   16 years Till Crueger Changed Observer to use RAII-style for locking changes.
(edit) @2e8296   16 years Till Crueger Started development of World Class
(edit) @ef4966   16 years Till Crueger Assigned best priority to cached values.
(edit) @bb9503   16 years Till Crueger Added mechanism that allows for assign priorities to observers
(edit) @4272f0   16 years Till Crueger Added possibility to disable caching mechanism at compile time
(edit) @8fc9b6   16 years Till Crueger Made more methods of the molecule observable
(edit) @f1ef9cc   16 years Till Crueger Added simple way to retrieve formula of a molecule using caching
(edit) @d0c7ec   16 years Till Crueger Added data structure to allow caching of derived values
(edit) @4bb871a   16 years Till Crueger Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring
(edit) @adcdf8   16 years Till Crueger Moved method to rename molecules to a seperate Action
(edit) @795b4d   16 years Till Crueger Moved method to rename molecules to a seperate Action
(edit) @6997fa   16 years Till Crueger Added a view that displays all molecules using a QTableWidget
(edit) @03d7ac   16 years Till Crueger Added generic observer pattern framework. (cherry picked from commit …
(edit) @6d0fcaa   16 years FrederikHeber Possibility to store all bonds to file added. So far we only could …
(edit) @1c7aed   16 years FrederikHeber Output....Correlation() don't prepend header line with '#', BinData() …
(edit) @14c0f0   16 years FrederikHeber FIX: FillBoxWithMolecule() - seed of random number generator was not …
(edit) @8d0b25   16 years FrederikHeber Added output of surfacemap in ParseCommandLineOptions(), case 'C' again.
(edit) @dbd19f   16 years Till Crueger Added possibility to query doubles and vectors using dialogs.
(edit) @d34341   16 years Till Crueger Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring …
(edit) @478683   16 years FrederikHeber GetDistanceToSurface() separated, filling now with water instead of …
(edit) @41182a   16 years Till Crueger Merge commit 'heber/Analysis_PairCorrelation' into MenuRefactoring …
(edit) @551a58   16 years FrederikHeber Merge branch 'FixVersioning3' into Analysis_PairCorrelation Tesselation-DistanceToSurface_WORKING
(edit) @0af58f   16 years FrederikHeber Fixed versioning. - FIX: version.h was falsely excluded in .gitignore …
(edit) @591f15   16 years FrederikHeber BUGFIX: Tesselation::IsInnerPoint() returned wrong result. - We …
(edit) @a922f3   16 years FrederikHeber Merge branch 'FixTemplatedMinMax' into FixFillingWithMolecule
(edit) @1ec554   16 years FrederikHeber Rather use parameter passing by value instead of reference. - We …
(edit) @a34fab   16 years FrederikHeber Unit test for BoundaryTriangleSet member functions added. - for now …
(edit) @1aa2a5   16 years FrederikHeber FillBoxWithMolecule now allows boundary between filler molecules and …
(edit) @252790   16 years FrederikHeber Changed verbosity for Vector::GetIntersectionWithPlane(). - when line …
(edit) @931903   16 years Till Crueger Made embeddMolecules menu-point use the new dialog framework
(edit) @249522   16 years FrederikHeber FillWithMolecule() is now working correctly. - FillWithMolecule() …
(edit) @3dea05   16 years FrederikHeber Templated Min and Max functions added. Signed-off-by: Frederik Heber …
(edit) @8a34e69   16 years FrederikHeber Boolean return value of Tesselation::IsInnerPoint in …
(edit) @49d3e1e   16 years FrederikHeber Small fixes to make checks working again. - Tesselations tests 13 and …
(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) @afa056   16 years FrederikHeber Removed unnecessary epsilon parameter. - epsilon before was used as a …
(edit) @91b1e79   16 years FrederikHeber Fixed Tesselation::IsInnerPoint() - Both unit tests …
(edit) @d403a1   16 years FrederikHeber InsideOutside unit test of tesselation is working correctly. - FIX: …
(edit) @23f6ec   16 years FrederikHeber BUGFIX - Test was wrong in upper bounds of inside area. - upper …
(edit) @9291f85   16 years FrederikHeber Added Determinant() function to class GSLMatrix. - new function …
(edit) @7b991d   16 years FrederikHeber FIX - GSLVector::Set() return value was double instead of void. …
(edit) @ac6b65   16 years FrederikHeber Vector::GetIntersectionOfTwoLinesOnPlane() rewritten. Use routine …
(edit) @901774   16 years FrederikHeber libgslwrapper.a added to LDADD of most tests. Since Vector class uses …
(edit) @51a8a1   16 years FrederikHeber BUGFIX - GetCenterOfSphere(): condition were not put correctly in …
(edit) @00b5802   16 years FrederikHeber BUGFIX - molecule::MinimiseConstrainedPotential() OldPotential was …
(edit) @70e11d   16 years FrederikHeber Inclusion of config.h was missing. This caused a bug with GSL's …
(edit) @2c69a9   16 years FrederikHeber cstdlib header was missing, necessary for free, malloc and calloc …
(edit) @e6fe8a   16 years FrederikHeber cstring header was missing in files, supplying definition of strlen, …
(edit) @d97af9   16 years Till Crueger Seperated building of mainWindow and contained Menus - Moved code to …
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