source: molecuilder/src/molecule_fragmentation.cpp

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Diff Rev Age Author Log Message
(edit) @0d111b   15 years Till Crueger Merge branch 'VectorRefactoring' into StructureRefactoring Conflicts: …
(edit) @075729   15 years FrederikHeber Merge branch 'Analysis_PairCorrelation' into StructureRefactoring …
(edit) @1f2e46   15 years FrederikHeber Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
(edit) @1f591b   15 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
(edit) @71910a   15 years Till Crueger Made data internal data-structure of vector class private - Replaced …
(edit) @800dc3   15 years FrederikHeber Merge branch 'FixGeneralizeStoreAdjacencyToFile' into …
(edit) @31ccb6   15 years FrederikHeber molecule::StoreAdjacencyToFile() and molecule::StoreBondsToFile() now …
(edit) @12f57b   15 years FrederikHeber Log() and eLog() are prepended by a DoLog()/DoeLog() construct. - …
(edit) @4c60ef   15 years Till Crueger Added generic singleton Pattern that can be inherited to any class …
(edit) @9565ec   15 years FrederikHeber singleton class World introduced, contains only cell_size from class …
(edit) @8d9d38   15 years Till Crueger Made the world solely responsible for creating and erasing molecules.
(edit) @e6fe8a   16 years FrederikHeber cstring header was missing in files, supplying definition of strlen, …
(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) @543ce4   16 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
(edit) @c1b4a4   16 years FrederikHeber "not working parsed molecule into subgraph splitting"-BUG fixed, …
(edit) @8bc524   16 years FrederikHeber Several memory bugfixes (thx valgrind). - main() - shortened case …
(edit) @872b51   16 years FrederikHeber Huge refactoring: molecule::ListOfBondsPerAtom and …
(edit) @9f73db   16 years FrederikHeber Fixed broken test "Fragmentation - Fragmentation". - BUGFIX: Code was …
(edit) @082da1   16 years FrederikHeber Refactored molecule::FragmentBOSSANOVA(). - renamed functions: …
(edit) @ae65ac   16 years FrederikHeber Refactored molecule::PowerSetGenerator(). - new functions are: …
(edit) @cf4b78   16 years FrederikHeber Rewritten molecule::molecule::SPFragmentGenerator() - new functions …
(edit) @ff9879   16 years FrederikHeber First half of molecule_fragmentation.cpp refactoring. - new template …
(edit) @17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
(add) @f92d00   16 years FrederikHeber class molecule implementation split up into six separate parts. - …
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