Changeset 6250e5 for molecuilder/src/builder.cpp

Timestamp:

Apr 1, 2010, 6:52:09 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

6dd8d3

Parents:

794482

Message:

Enhanced CountHydrogenBridgeBonds() a bit.

• new functions CheckHydrogenBridgeBondAngle() and CalculateAngle()
• CountHydrogenBridgeBonds() now discards when two oxygen show each both a hydrogen (two test cases in CountBondsUnitTest.cpp for this)
• this however also no effect over the criteria by Marry, Rotenberg and Turq.

(No files)