Ignore:
Timestamp:
Apr 23, 2021, 8:51:43 PM (5 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
Candidate_v1.7.0, stable
Children:
c30959
Parents:
5fa1e86
git-author:
Frederik Heber <frederik.heber@…> (11/17/20 21:01:07)
git-committer:
Frederik Heber <frederik.heber@…> (04/23/21 20:51:43)
Message:

Added getSelectedAtomPositions() python function.

File:
1 edited

Legend:

Unmodified
Added
Removed
  • src/Python/modules.hpp

    r5fa1e86 re70818  
    2929typedef std::vector<atomicNumber_t> elementVec;
    3030typedef std::vector<double> doubleVec;
     31typedef std::vector< std::vector<double> > atomPositionsVec;
    3132
    3233doubleVec module_getBoundingBox();
    3334double module_getDomainVolume();
    3435atomIdVec module_getSelectedAtomIds();
     36atomPositionsVec module_getSelectedAtomPositions();
    3537elementVec module_getSelectedAtomElements();
    3638double module_getSelectedMolarMass();
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