From: SourceForge.net <no...@so...> - 2008-06-12 19:59:15
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Project Maintainance Tasks item #1992357, was opened at 2008-06-12 15:59 Message generated for change (Tracker Item Submitted) made by Item Submitter You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=631143&aid=1992357&group_id=20024 Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: None Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: Rajarshi Guha (rajarshi) Assigned to: Rajarshi Guha (rajarshi) Summary: Get VdW radii from the PeriodicTable class Initial Comment: Since VdW radii are independent of atom type, the PeriodicTable class provides access to these values on an element basis. Thus usage of AtomType.getVanderwaalsRadius (and it's correpsonding setter) should be deprecated in favor of directly pulling them from the PeriodicTable class ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=631143&aid=1992357&group_id=20024 |
From: SourceForge.net <no...@so...> - 2008-06-19 19:16:04
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Project Maintainance Tasks item #1992357, was opened at 2008-06-12 15:59 Message generated for change (Comment added) made by rajarshi You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=631143&aid=1992357&group_id=20024 Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: None Group: None >Status: Closed >Resolution: Fixed Priority: 5 Private: No Submitted By: Rajarshi Guha (rajarshi) Assigned to: Rajarshi Guha (rajarshi) Summary: Get VdW radii from the PeriodicTable class Initial Comment: Since VdW radii are independent of atom type, the PeriodicTable class provides access to these values on an element basis. Thus usage of AtomType.getVanderwaalsRadius (and it's correpsonding setter) should be deprecated in favor of directly pulling them from the PeriodicTable class ---------------------------------------------------------------------- >Comment By: Rajarshi Guha (rajarshi) Date: 2008-06-19 15:16 Message: Logged In: YES user_id=349408 Originator: YES Code has been updated to remove VdW property from atom type classes as well as remove getters/setters. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=631143&aid=1992357&group_id=20024 |