Package chemaxon.struc.prop
Class MHCoords3DProp
java.lang.Object
chemaxon.struc.MProp
chemaxon.struc.prop.MHCoords3DProp
- All Implemented Interfaces:
MTransformable
,Serializable
,Cloneable
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:
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Field Summary
Fields inherited from class chemaxon.struc.MProp
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
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Constructor Summary
ConstructorDescriptionMHCoords3DProp
(String sval) Constructs a point array property from a string value.MHCoords3DProp
(Map<MolAtom, DPoint3[]> map, MoleculeGraph m) Constructs a property object from a map.MHCoords3DProp
(Map<Integer, DPoint3[]> map, long grinvCC) Constructs a property object from a map. -
Method Summary
Modifier and TypeMethodDescriptionclone()
Clones the object.Clones the object.convertToString
(String fmt, int flags) Deprecated, for removal: This API element is subject to removal in a future version.boolean
Gets a map containing MolAtom objects as keys and DPoint3 arrays as values.final DPoint3[]
getPoints
(int k) Gets the Hydrogen locations for an atom.Gets the type name of the property.Gets the property value as an object.Gets the XSD type name of the property.int
hashCode()
toString()
Overrides Object.toString() to ease debugging.void
Transforms the coordinates.Methods inherited from class chemaxon.struc.MProp
convertToString, getGrinvCC, getPropArraySize, isCoordDependent, setCoordDependent
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Constructor Details
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MHCoords3DProp
Constructs a property object from a map.- Parameters:
map
- map containing atoms as keys and DPoint3 arrays as valuesm
- the molecule graph
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MHCoords3DProp
Constructs a property object from a map.- Parameters:
map
- map containing atom indices as keys and DPoint3 arrays as values
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MHCoords3DProp
Constructs a point array property from a string value.- Parameters:
sval
- the string value- Throws:
IllegalArgumentException
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Method Details
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convertToString
@Deprecated(forRemoval=true) @SubjectToRemoval(date=JUL_01_2025) public String convertToString(String fmt, int flags) Deprecated, for removal: This API element is subject to removal in a future version.As of Marvin 5.7, replaced byMPropHandler.convertToString(MProp, String)
Converts the property to text format.- Specified by:
convertToString
in classMProp
- Parameters:
fmt
- the molecule file format ornull
flags
- optional conversion flags- Returns:
- the string
- Since:
- Marvin 4.1.7, 04/10/2007
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getPropValue
Gets the property value as an object.- Specified by:
getPropValue
in classMProp
- Returns:
- the Integer
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getMap
Gets a map containing MolAtom objects as keys and DPoint3 arrays as values.- Parameters:
m
- molecule containing the atoms- Returns:
- the map
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getPoints
Gets the Hydrogen locations for an atom.- Parameters:
k
- atom index- Returns:
- the locations
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getPropType
Gets the type name of the property.- Specified by:
getPropType
in classMProp
- Returns:
- "double"
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getPropXSDType
Gets the XSD type name of the property.- Specified by:
getPropXSDType
in classMProp
- Returns:
- "ENTITY"
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cloneProp
Clones the object. -
clone
Clones the object. -
transform
Transforms the coordinates.- Specified by:
transform
in interfaceMTransformable
- Parameters:
t
- the transformation matrix
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equals
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hashCode
public int hashCode() -
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.
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MPropHandler.convertToString(MProp, String)