Package chemaxon.struc.prop

Class MHCoords3DProp

java.lang.Object
chemaxon.struc.MProp
chemaxon.struc.prop.MHCoords3DProp
All Implemented Interfaces:
MTransformable, Serializable, Cloneable
@PublicAPI public class MHCoords3DProp extends MProp implements MTransformable
3D coordinates array property. These properties are "coordinate dependent" by default thus they become invalid when molecule coordinates are changed.
Since:
Marvin 4.1.3, 11/09/2006
See Also:

  • Constructor Details

    • MHCoords3DProp

      public MHCoords3DProp(Map<MolAtom,DPoint3[]> map, MoleculeGraph m)
      Constructs a property object from a map.
      Parameters:
      map - map containing atoms as keys and DPoint3 arrays as values
      m - the molecule graph

    • MHCoords3DProp

      public MHCoords3DProp(Map<Integer,DPoint3[]> map, long grinvCC)
      Constructs a property object from a map.
      Parameters:
      map - map containing atom indices as keys and DPoint3 arrays as values

    • MHCoords3DProp

      public MHCoords3DProp(String sval) throws IllegalArgumentException
      Constructs a point array property from a string value.
      Parameters:
      sval - the string value
      Throws:
      IllegalArgumentException

  • Method Details

    • convertToString

      @Deprecated public String convertToString(String fmt, int flags)
      Deprecated.
      As of Marvin 5.7, replaced by MPropHandler.convertToString(MProp, String)
      Converts the property to text format.
      Specified by:
      convertToString in class MProp
      Parameters:
      fmt - the molecule file format or null
      flags - optional conversion flags
      Returns:
      the string
      Since:
      Marvin 4.1.7, 04/10/2007

    • getPropValue

      public Object getPropValue()
      Gets the property value as an object.
      Specified by:
      getPropValue in class MProp
      Returns:
      the Integer

    • getMap

      public final Map<MolAtom,DPoint3[]> getMap(MoleculeGraph m)
      Gets a map containing MolAtom objects as keys and DPoint3 arrays as values.
      Parameters:
      m - molecule containing the atoms
      Returns:
      the map

    • getPoints

      public final DPoint3[] getPoints(int k)
      Gets the Hydrogen locations for an atom.
      Parameters:
      k - atom index
      Returns:
      the locations

    • getPropType

      public String getPropType()
      Gets the type name of the property.
      Specified by:
      getPropType in class MProp
      Returns:
      "double"

    • getPropXSDType

      public String getPropXSDType()
      Gets the XSD type name of the property.
      Specified by:
      getPropXSDType in class MProp
      Returns:
      "ENTITY"

    • cloneProp

      public MProp cloneProp()
      Clones the object.
      Specified by:
      cloneProp in class MProp
      Returns:
      the clone

    • clone

      public Object clone()
      Clones the object.
      Overrides:
      clone in class Object
      Returns:
      the clone

    • transform

      public void transform(CTransform3D t)
      Transforms the coordinates.
      Specified by:
      transform in interface MTransformable
      Parameters:
      t - the transformation matrix

    • equals

      public boolean equals(Object o)
      Overrides:
      equals in class Object

    • hashCode

      public int hashCode()
      Overrides:
      hashCode in class Object

    • toString

      public String toString()
      Description copied from class: MProp
      Overrides Object.toString() to ease debugging. Returns a string consisting of the classname (without the package name!), the at-sign character `@', and the unsigned hexadecimal representation of the hash code of the object.
      Overrides:
      toString in class MProp
      Returns:
      a string representation of this object
      Since:
      Marvin 5.7, 07/25/2011