/* ----------------------------------------------------------------------------
* This file was automatically generated by SWIG (http://www.swig.org).
* Version 1.3.31
*
* Do not make changes to this file unless you know what you are doing--modify
* the SWIG interface file instead.
* ----------------------------------------------------------------------------- */
public class OBUnitCell extends OBGenericData {
private long swigCPtr;
protected OBUnitCell(long cPtr, boolean cMemoryOwn) {
super(openbabelJNI.SWIGOBUnitCellUpcast(cPtr), cMemoryOwn);
swigCPtr = cPtr;
}
protected static long getCPtr(OBUnitCell obj) {
return (obj == null) ? 0 : obj.swigCPtr;
}
protected void finalize() {
delete();
}
public synchronized void delete() {
if(swigCPtr != 0 && swigCMemOwn) {
swigCMemOwn = false;
openbabelJNI.delete_OBUnitCell(swigCPtr);
}
swigCPtr = 0;
super.delete();
}
public OBUnitCell() {
this(openbabelJNI.new_OBUnitCell__SWIG_0(), true);
}
public OBUnitCell(OBUnitCell arg0) {
this(openbabelJNI.new_OBUnitCell__SWIG_1(OBUnitCell.getCPtr(arg0), arg0), true);
}
public OBGenericData Clone(OBBase arg0) {
long cPtr = openbabelJNI.OBUnitCell_Clone(swigCPtr, this, OBBase.getCPtr(arg0), arg0);
return (cPtr == 0) ? null : new OBGenericData(cPtr, false);
}
public void SetData(double a, double b, double c, double alpha, double beta, double gamma) {
openbabelJNI.OBUnitCell_SetData__SWIG_0(swigCPtr, this, a, b, c, alpha, beta, gamma);
}
public void SetData(vector3 v1, vector3 v2, vector3 v3) {
openbabelJNI.OBUnitCell_SetData__SWIG_1(swigCPtr, this, vector3.getCPtr(v1), v1, vector3.getCPtr(v2), v2, vector3.getCPtr(v3), v3);
}
public void SetOffset(vector3 v1) {
openbabelJNI.OBUnitCell_SetOffset(swigCPtr, this, vector3.getCPtr(v1), v1);
}
public void SetSpaceGroup(String sg) {
openbabelJNI.OBUnitCell_SetSpaceGroup__SWIG_0(swigCPtr, this, sg);
}
public void SetSpaceGroup(int sg) {
openbabelJNI.OBUnitCell_SetSpaceGroup__SWIG_1(swigCPtr, this, sg);
}
public void SetLatticeType(OBUnitCell.LatticeType lt) {
openbabelJNI.OBUnitCell_SetLatticeType(swigCPtr, this, lt.swigValue());
}
public double GetA() {
return openbabelJNI.OBUnitCell_GetA(swigCPtr, this);
}
public double GetB() {
return openbabelJNI.OBUnitCell_GetB(swigCPtr, this);
}
public double GetC() {
return openbabelJNI.OBUnitCell_GetC(swigCPtr, this);
}
public double GetAlpha() {
return openbabelJNI.OBUnitCell_GetAlpha(swigCPtr, this);
}
public double GetBeta() {
return openbabelJNI.OBUnitCell_GetBeta(swigCPtr, this);
}
public double GetGamma() {
return openbabelJNI.OBUnitCell_GetGamma(swigCPtr, this);
}
public vector3 GetOffset() {
return new vector3(openbabelJNI.OBUnitCell_GetOffset(swigCPtr, this), true);
}
public String GetSpaceGroup() {
return openbabelJNI.OBUnitCell_GetSpaceGroup(swigCPtr, this);
}
public OBUnitCell.LatticeType GetLatticeType(int spacegroup) {
return OBUnitCell.LatticeType.swigToEnum(openbabelJNI.OBUnitCell_GetLatticeType__SWIG_0(swigCPtr, this, spacegroup));
}
public OBUnitCell.LatticeType GetLatticeType() {
return OBUnitCell.LatticeType.swigToEnum(openbabelJNI.OBUnitCell_GetLatticeType__SWIG_1(swigCPtr, this));
}
public vVector3 GetCellVectors() {
return new vVector3(openbabelJNI.OBUnitCell_GetCellVectors(swigCPtr, this), true);
}
public matrix3x3 GetCellMatrix() {
return new matrix3x3(openbabelJNI.OBUnitCell_GetCellMatrix(swigCPtr, this), true);
}
public matrix3x3 GetOrthoMatrix() {
return new matrix3x3(openbabelJNI.OBUnitCell_GetOrthoMatrix(swigCPtr, this), true);
}
public matrix3x3 GetFractionalMatrix() {
return new matrix3x3(openbabelJNI.OBUnitCell_GetFractionalMatrix(swigCPtr, this), true);
}
public int GetSpaceGroupNumber(String name) {
return openbabelJNI.OBUnitCell_GetSpaceGroupNumber(swigCPtr, this, name);
}
public double GetCellVolume() {
return openbabelJNI.OBUnitCell_GetCellVolume(swigCPtr, this);
}
public final static class LatticeType {
public final static LatticeType Undefined = new LatticeType("Undefined");
public final static LatticeType Triclinic = new LatticeType("Triclinic");
public final static LatticeType Monoclinic = new LatticeType("Monoclinic");
public final static LatticeType Orthorhombic = new LatticeType("Orthorhombic");
public final static LatticeType Tetragonal = new LatticeType("Tetragonal");
public final static LatticeType Rhombohedral = new LatticeType("Rhombohedral");
public final static LatticeType Hexagonal = new LatticeType("Hexagonal");
public final static LatticeType Cubic = new LatticeType("Cubic");
public final int swigValue() {
return swigValue;
}
public String toString() {
return swigName;
}
public static LatticeType swigToEnum(int swigValue) {
if (swigValue < swigValues.length && swigValue >= 0 && swigValues[swigValue].swigValue == swigValue)
return swigValues[swigValue];
for (int i = 0; i < swigValues.length; i++)
if (swigValues[i].swigValue == swigValue)
return swigValues[i];
throw new IllegalArgumentException("No enum " + LatticeType.class + " with value " + swigValue);
}
private LatticeType(String swigName) {
this.swigName = swigName;
this.swigValue = swigNext++;
}
private LatticeType(String swigName, int swigValue) {
this.swigName = swigName;
this.swigValue = swigValue;
swigNext = swigValue+1;
}
private LatticeType(String swigName, LatticeType swigEnum) {
this.swigName = swigName;
this.swigValue = swigEnum.swigValue;
swigNext = this.swigValue+1;
}
private static LatticeType[] swigValues = { Undefined, Triclinic, Monoclinic, Orthorhombic, Tetragonal, Rhombohedral, Hexagonal, Cubic };
private static int swigNext = 0;
private final int swigValue;
private final String swigName;
}
}
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