source: molecuilder/src/bondgraph.hpp

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Diff Rev Age Author Log Message
(edit) @794482   15 years FrederikHeber Moved functions CountBondsOfTwo(), CountBondsOfThree() and …
(edit) @7e4dc3f   15 years FrederikHeber Implemented counting of bonds over all atoms. - new functions in …
(edit) @ac86192   15 years FrederikHeber Introduced CountHydrogenBridgeBonds() function. - …
(edit) @6acc8e4   15 years FrederikHeber Shifted BONDTHRESHOLD from defs.hpp over to bondgraph.hpp and lowered …
(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 …
(add) @5f697c   16 years FrederikHeber New class BondGraph. - BondGraph parses a file containing bond …
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