source: molecuilder/src/molecule_template.hpp

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Diff Rev Age Author Log Message
(edit) @1f591b   15 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
(edit) @14d898   16 years Till Crueger Added methods for querying molecules using descriptors
(edit) @543ce4   16 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
(edit) @94d0ad   16 years FrederikHeber Begun with ticket #38 (make const what is const). - basically all …
(edit) @6b937bd   16 years FrederikHeber Huge Refactoring: class atom split up into several inherited classes. …
(edit) @6e250f   16 years FrederikHeber Removed ResetAllAtomNumbers(), replaced by templated SetAtomValueToValue().
(edit) @872b51   16 years FrederikHeber Huge refactoring: molecule::ListOfBondsPerAtom and …
(edit) @ff9879   16 years FrederikHeber First half of molecule_fragmentation.cpp refactoring. - new template …
(edit) @7c2f6b   16 years FrederikHeber Complete refactoring of molecule_dynamics.cpp - new small functions: …
(edit) @3efb4a   16 years FrederikHeber Implementing templated iterators done for molecule.cpp - new …
(edit) @17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
(add) @8ffe32   16 years FrederikHeber More functions of molecule now use templated iterators. - the …
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