source: molecuilder/src/bondgraph.cpp

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Diff Rev Age Author Log Message
(edit) @1f2e46   15 years FrederikHeber Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) …
(edit) @0161a3   15 years FrederikHeber Fixed a warning in BondGraph::LoadBondLengthTable() due to missing …
(edit) @794482   15 years FrederikHeber Moved functions CountBondsOfTwo(), CountBondsOfThree() and …
(edit) @32526c   15 years FrederikHeber BUGFIX: CountHydrogenBridgeBonds() was half-broken, …
(edit) @7e4dc3f   15 years FrederikHeber Implemented counting of bonds over all atoms. - new functions in …
(edit) @ac86192   15 years FrederikHeber Introduced CountHydrogenBridgeBonds() function. - …
(edit) @12f57b   15 years FrederikHeber Log() and eLog() are prepended by a DoLog()/DoeLog() construct. - …
(edit) @478683   16 years FrederikHeber GetDistanceToSurface() separated, filling now with water instead of …
(edit) @65f1dba   16 years FrederikHeber Fix attempts of the Tesselation. One problem still remains: - …
(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) @08b88b   16 years FrederikHeber Fixing not created adjacency list, partially fixing subgraph …
(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. - …
(add) @5f697c   16 years FrederikHeber New class BondGraph. - BondGraph parses a file containing bond …
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