source: molecuilder/src/molecule_graph.cpp

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Diff Rev Age Author Log Message
(edit) @6dd8d3   15 years FrederikHeber LinkedNodes is now declared inside LinkedCell and some new functions. …
(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) @a83171   15 years FrederikHeber Default molecule name can be set via command line, BUGFIX: …
(edit) @9565ec   15 years FrederikHeber singleton class World introduced, contains only cell_size from class …
(edit) @6d0fcaa   16 years FrederikHeber Possibility to store all bonds to file added. So far we only could …
(edit) @16f34d   16 years FrederikHeber Fixing the testsuite. - Putting performCriticalExit() everywhere …
(edit) @3d4969   16 years FrederikHeber Fixing ticket #18. - each eLog() << Verbose(0) is now followed by …
(edit) @543ce4   16 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
(edit) @20895b   16 years FrederikHeber Extension to the periodic boundary case for analysis_correlation.cpp …
(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) @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) @5f697c   16 years FrederikHeber New class BondGraph. - BondGraph parses a file containing bond …
(edit) @a9b2a0a   16 years FrederikHeber Huge refactoring to make const what is const (ticket #38), continued. …
(edit) @99bed3   16 years FrederikHeber Added BFSAccounting and DFSAccounting structures and all functions use …
(edit) @e60069   16 years FrederikHeber Refactored molecule::BuildInducedSubgraph() - new functions …
(edit) @9897787   16 years FrederikHeber Refactored molecule::BreadthFirstSearchAdd() - new function: …
(edit) @312ba2   16 years FrederikHeber Refactored CheckAdjacencyFileAgainstMolecule(). - new functions: …
(edit) @6e250f   16 years FrederikHeber Removed ResetAllAtomNumbers(), replaced by templated SetAtomValueToValue().
(edit) @f444ce   16 years FrederikHeber Shifted molecuke::InitComponentNumbers() to atom::InitComponentNr. …
(edit) @c9f639   16 years FrederikHeber Refactored molecule::CyclicStructureAnalysis() - new functions: …
(edit) @77894f   16 years FrederikHeber Refactored molecule::DepthFirstSearchAnalysis() - new functions: …
(edit) @872b51   16 years FrederikHeber Huge refactoring: molecule::ListOfBondsPerAtom and …
(edit) @b0ee98   16 years FrederikHeber Refactored CreateAdjacencyList(). - new auxiliary functions: …
(edit) @bee48d   16 years FrederikHeber Renamed and rewritten CreateAdjacencyList2(). - rename …
(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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