//// density.h//// Copyright (C) 1996 Limit Point Systems, Inc.//// Author: Curtis Janssen <cljanss@limitpt.com>// Maintainer: LPS//// This file is part of the SC Toolkit.//// The SC Toolkit is free software; you can redistribute it and/or modify// it under the terms of the GNU Library General Public License as published by// the Free Software Foundation; either version 2, or (at your option)// any later version.//// The SC Toolkit is distributed in the hope that it will be useful,// but WITHOUT ANY WARRANTY; without even the implied warranty of// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the// GNU Library General Public License for more details.//// You should have received a copy of the GNU Library General Public License// along with the SC Toolkit; see the file COPYING.LIB.  If not, write to// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.//// The U.S. Government is granted a limited license as per AL 91-7.//#ifndef _chemistry_qc_wfn_density_h#define _chemistry_qc_wfn_density_h#ifdef __GNUC__#pragma interface#endif#include <math/isosurf/volume.h>#include <chemistry/qc/wfn/wfn.h>#include <chemistry/molecule/molrender.h>namespace sc {class ElectronDensity: public Volume {  protected:    Ref<Wavefunction> wfn_;    virtual void compute();  public:    ElectronDensity(const Ref<KeyVal>&);    ElectronDensity(const Ref<Wavefunction>&);    ~ElectronDensity();    virtual void boundingbox(double valuemin,                             double valuemax,                             SCVector3& p1, SCVector3& p2);};class DensityColorizer: public MoleculeColorizer {  protected:    Ref<Wavefunction> wfn_;    double scale_;    double reference_;    int have_scale_;    int have_reference_;  public:    DensityColorizer(const Ref<KeyVal>&);    ~DensityColorizer();    void colorize(const Ref<RenderedPolygons> &);};class GradDensityColorizer: public MoleculeColorizer {  protected:    Ref<Wavefunction> wfn_;    double scale_;    double reference_;    int have_scale_;    int have_reference_;  public:    GradDensityColorizer(const Ref<KeyVal>&);    ~GradDensityColorizer();    void colorize(const Ref<RenderedPolygons> &);};}#endif// Local Variables:// mode: c++// c-file-style: "CLJ"// End: