/* ---------------------------------------------------------------------------- * 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; } }