/* ----------------------------------------------------------------------------
 * 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 OBFFCalculation {
  private long swigCPtr;
  protected boolean swigCMemOwn;

  protected OBFFCalculation(long cPtr, boolean cMemoryOwn) {
    swigCMemOwn = cMemoryOwn;
    swigCPtr = cPtr;
  }

  protected static long getCPtr(OBFFCalculation obj) {
    return (obj == null) ? 0 : obj.swigCPtr;
  }

  protected void finalize() {
    delete();
  }

  public synchronized void delete() {
    if(swigCPtr != 0 && swigCMemOwn) {
      swigCMemOwn = false;
      openbabelJNI.delete_OBFFCalculation(swigCPtr);
    }
    swigCPtr = 0;
  }

  public void setEnergy(double value) {
    openbabelJNI.OBFFCalculation_energy_set(swigCPtr, this, value);
  }

  public double getEnergy() {
    return openbabelJNI.OBFFCalculation_energy_get(swigCPtr, this);
  }

  public void setGrada(vector3 value) {
    openbabelJNI.OBFFCalculation_grada_set(swigCPtr, this, vector3.getCPtr(value), value);
  }

  public vector3 getGrada() {
    return new vector3(openbabelJNI.OBFFCalculation_grada_get(swigCPtr, this), false);
  }

  public void setGradb(vector3 value) {
    openbabelJNI.OBFFCalculation_gradb_set(swigCPtr, this, vector3.getCPtr(value), value);
  }

  public vector3 getGradb() {
    return new vector3(openbabelJNI.OBFFCalculation_gradb_get(swigCPtr, this), false);
  }

  public void setGradc(vector3 value) {
    openbabelJNI.OBFFCalculation_gradc_set(swigCPtr, this, vector3.getCPtr(value), value);
  }

  public vector3 getGradc() {
    return new vector3(openbabelJNI.OBFFCalculation_gradc_get(swigCPtr, this), false);
  }

  public void setGradd(vector3 value) {
    openbabelJNI.OBFFCalculation_gradd_set(swigCPtr, this, vector3.getCPtr(value), value);
  }

  public vector3 getGradd() {
    return new vector3(openbabelJNI.OBFFCalculation_gradd_get(swigCPtr, this), false);
  }

  public void setA(OBAtom value) {
    openbabelJNI.OBFFCalculation_a_set(swigCPtr, this, OBAtom.getCPtr(value), value);
  }

  public OBAtom getA() {
    long cPtr = openbabelJNI.OBFFCalculation_a_get(swigCPtr, this);
    return (cPtr == 0) ? null : new OBAtom(cPtr, false);
  }

  public void setB(OBAtom value) {
    openbabelJNI.OBFFCalculation_b_set(swigCPtr, this, OBAtom.getCPtr(value), value);
  }

  public OBAtom getB() {
    long cPtr = openbabelJNI.OBFFCalculation_b_get(swigCPtr, this);
    return (cPtr == 0) ? null : new OBAtom(cPtr, false);
  }

  public void setC(OBAtom value) {
    openbabelJNI.OBFFCalculation_c_set(swigCPtr, this, OBAtom.getCPtr(value), value);
  }

  public OBAtom getC() {
    long cPtr = openbabelJNI.OBFFCalculation_c_get(swigCPtr, this);
    return (cPtr == 0) ? null : new OBAtom(cPtr, false);
  }

  public void setD(OBAtom value) {
    openbabelJNI.OBFFCalculation_d_set(swigCPtr, this, OBAtom.getCPtr(value), value);
  }

  public OBAtom getD() {
    long cPtr = openbabelJNI.OBFFCalculation_d_get(swigCPtr, this);
    return (cPtr == 0) ? null : new OBAtom(cPtr, false);
  }

  public OBFFCalculation() {
    this(openbabelJNI.new_OBFFCalculation(), true);
  }

  public void Compute(boolean gradients) {
    openbabelJNI.OBFFCalculation_Compute__SWIG_0(swigCPtr, this, gradients);
  }

  public void Compute() {
    openbabelJNI.OBFFCalculation_Compute__SWIG_1(swigCPtr, this);
  }

  public double GetEnergy() {
    return openbabelJNI.OBFFCalculation_GetEnergy(swigCPtr, this);
  }

  public vector3 GetGradient(OBAtom atom) {
    return new vector3(openbabelJNI.OBFFCalculation_GetGradient(swigCPtr, this, OBAtom.getCPtr(atom), atom), true);
  }

}