Class SymmetryInfo


  • class SymmetryInfo
    extends java.lang.Object
    • Field Detail

      • coordinatesAreFractional

        boolean coordinatesAreFractional
      • isMultiCell

        boolean isMultiCell
      • sgName

        java.lang.String sgName
      • infoStr

        java.lang.String infoStr
      • cellRange

        int[] cellRange
      • latticeType

        char latticeType
      • intlTableNo

        public java.lang.String intlTableNo
    • Constructor Detail

      • SymmetryInfo

        SymmetryInfo()
    • Method Detail

      • setSymmetryInfo

        float[] setSymmetryInfo​(java.util.Map<java.lang.String,​java.lang.Object> info,
                                float[] unitCellParams,
                                SpaceGroup sg)
        Parameters:
        info -
        unitCellParams - an array of parameters could be from model, but also could be from a trajectory listing
        sg - space group determined by SpaceGroupFinder via modelkit
        Returns:
        actual unit cell parameters