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silica.pov1.0000.pdb@ 88bb6b

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Last change on this file since 88bb6b was 0cbad2, checked in by Frederik Heber <heber@…>, 15 years ago

Moved molecule::CreateAdjacencyListFromDbondFile() over to BondGraph and made more flexible.

extended molecule::CreateAdjacencyListFromDbondFile() to also parse TREMOLO's dbond files.
BondFileAction now has two more options: skiplines and offset to control parsing, default values assure behavior as has been.
same way CreateAdjacencyListFromDbondFile() has these two options added also.
extended regression test Molecule/BondFile with unconnected PDB and dbond file.

File size: 565.8 KB

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