@PublicAPI public class MHCoords3DProp extends MProp implements MTransformable
COORDDEP, TYPE_3D_COORDS, TYPE_ARRAY_BYTE, TYPE_ARRAY_DOUBLE, TYPE_ARRAY_INTEGER, TYPE_BOOLEAN, TYPE_COLLECTION_HASH, TYPE_COLLECTION_LIST, TYPE_CONFORMER_DESCRIPTOR, TYPE_DOUBLE, TYPE_FONT, TYPE_INTEGER, TYPE_MDOCUMENT_PROP, TYPE_MOLECULE, TYPE_OBJECT, TYPE_STRING, TYPE_VOLUMETRIC_DATA
Constructor and Description |
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MHCoords3DProp(java.util.Map<java.lang.Integer,DPoint3[]> map,
long grinvCC)
Constructs a property object from a map.
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MHCoords3DProp(java.util.Map<MolAtom,DPoint3[]> map,
MoleculeGraph m)
Constructs a property object from a map.
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MHCoords3DProp(java.lang.String sval)
Constructs a point array property from a string value.
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Modifier and Type | Method and Description |
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java.lang.Object |
clone()
Clones the object.
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MProp |
cloneProp()
Clones the object.
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java.lang.String |
convertToString(java.lang.String fmt,
int flags)
Deprecated.
As of Marvin 5.7, replaced by
MPropHandler.convertToString(MProp, String) |
boolean |
equals(java.lang.Object o) |
java.util.Map<MolAtom,DPoint3[]> |
getMap(MoleculeGraph m)
Gets a map containing MolAtom objects as keys and DPoint3 arrays as
values.
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DPoint3[] |
getPoints(int k)
Gets the Hydrogen locations for an atom.
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java.lang.String |
getPropType()
Gets the type name of the property.
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java.lang.Object |
getPropValue()
Gets the property value as an object.
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java.lang.String |
getPropXSDType()
Gets the XSD type name of the property.
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int |
hashCode() |
java.lang.String |
toString()
Overrides Object.toString() to ease debugging.
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void |
transform(CTransform3D t)
Transforms the coordinates.
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convertToString, getGrinvCC, getPropArraySize, isCoordDependent, setCoordDependent
public MHCoords3DProp(java.util.Map<MolAtom,DPoint3[]> map, MoleculeGraph m)
map
- map containing atoms as keys and DPoint3 arrays as valuesm
- the molecule graphpublic MHCoords3DProp(java.util.Map<java.lang.Integer,DPoint3[]> map, long grinvCC)
map
- map containing atom indices as keys and DPoint3 arrays as
valuespublic MHCoords3DProp(java.lang.String sval) throws java.lang.IllegalArgumentException
sval
- the string valuejava.lang.IllegalArgumentException
@Deprecated public java.lang.String convertToString(java.lang.String fmt, int flags)
MPropHandler.convertToString(MProp, String)
convertToString
in class MProp
fmt
- the molecule file format or null
flags
- optional conversion flagspublic java.lang.Object getPropValue()
getPropValue
in class MProp
public final java.util.Map<MolAtom,DPoint3[]> getMap(MoleculeGraph m)
m
- molecule containing the atomspublic final DPoint3[] getPoints(int k)
k
- atom indexpublic java.lang.String getPropType()
getPropType
in class MProp
public java.lang.String getPropXSDType()
getPropXSDType
in class MProp
public MProp cloneProp()
public java.lang.Object clone()
clone
in class java.lang.Object
public void transform(CTransform3D t)
transform
in interface MTransformable
t
- the transformation matrixpublic boolean equals(java.lang.Object o)
equals
in class java.lang.Object
public int hashCode()
hashCode
in class java.lang.Object
public java.lang.String toString()
MProp
@
', and the unsigned
hexadecimal representation of the hash code of the object.