oogl.cc

大型并行量子化学软件；支持密度泛函（DFT）。可以进行各种量子化学计算。支持CHARMM并行计算。非常具有应用价值。

//
// oogl.cc
//
// Copyright (C) 1996 Limit Point Systems, Inc.
//
// Author: Curtis Janssen <[e-mail]>
// 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.
//

#include <util/misc/formio.h>
#include <util/keyval/keyval.h>
#include <util/render/oogl.h>
#include <util/render/object.h>
#include <util/render/sphere.h>
#include <util/render/polygons.h>
#include <util/render/polylines.h>
#include <util/render/material.h>
#include <util/render/animate.h>

using namespace std;
using namespace sc;

static ClassDesc OOGLRender_cd(
  typeid(OOGLRender),"OOGLRender",1,"public FileRender",
  0, create<OOGLRender>, 0);

OOGLRender::OOGLRender(const char * filename):
  FileRender(filename)
{
  oogl_spheres_ = 0;
}

OOGLRender::OOGLRender(ostream &o):
  FileRender(o)
{
  oogl_spheres_ = 0;
}

OOGLRender::OOGLRender(const Ref<KeyVal>& keyval):
  FileRender(keyval)
{
  oogl_spheres_ = keyval->booleanvalue("oogl_spheres");
}

OOGLRender::~OOGLRender()
{
}

const char *
OOGLRender::file_extension()
{
  return ".oogl";
}

void
OOGLRender::animate(const Ref<AnimatedObject>& animated_object)
{
  // save the old filename_ and basename_
  char *old_filename = filename_;
  char *old_basename = basename_;

  // construct a script name based on the animated object name
  const char *base;
  if (old_filename) base = old_filename;
  else if (old_basename) base = old_basename;
  else base = "anim";
  int lenobjname;
  if (animated_object->name() != 0) {
      lenobjname = strlen(animated_object->name());
    }
  else lenobjname = 0;
  if (lenobjname) lenobjname++;
  const char *suf = ".scr";
  char *file = new char[strlen(base)+lenobjname+strlen(suf)+1];
  strcpy(file, base);
  if (lenobjname) {
      strcat(file,".");
      strcat(file,animated_object->name());
    }
  strcat(file,suf);

  // construct a base name based on the animated object name
  filename_ = 0;
  basename_ = new char[strlen(base)+lenobjname];
  strcpy(basename_, base);
  if (lenobjname) {
      strcat(basename_,".");
      strcat(basename_,animated_object->name());
    }

  ofstream anim(file);
  delete[] file;
  for (int i=0; i<animated_object->nobject(); i++) {
      Ref<RenderedObject> object = animated_object->object(i);
      if (object->name() == 0) {
          char ic[64];
          sprintf(ic,"%03d",i);
          object->set_name(ic);
        }
      file = get_filename(object->name());
      anim << file << endl;
      delete[] file;
      render(object);
    }

  delete[] filename_;
  delete[] basename_;
  filename_ = old_filename;
  basename_ = old_basename;
}

void
OOGLRender::render(const Ref<RenderedObject>& object)
{
  open_sbuf(object->name());
  ostream o(sbuf_);
  o << "{" << endl;
  if (object->name()) {
      o << "define " << object->name() << endl;
    }
  if (object->transform().nonnull()) {
      o << "= INST" << endl;
      o << "transform {" << endl;
      for (int i=0; i<4; i++) {
          for (int j=0; j<4; j++) {
              o << scprintf(" %10.4f", object->transform()->transform()[j][i]);
            }
          o << endl;
        }
      o << "}" << endl;
      o << "geom {" << endl;
    }
  if (object->material().nonnull()
      ||object->appearance().nonnull()) {
      o << "appearance {" << endl;
      if (object->material().nonnull()) {
          o << "material {" << endl;
          if (object->material()->ambient().is_set()) {
              if (object->material()->ambient().overrides()) o << "*";
              o << scprintf("ambient %10.4f %10.4f %10.4f",
                            object->material()->ambient().value().red(),
                            object->material()->ambient().value().green(),
                            object->material()->ambient().value().blue())
                << endl;
            }
          if (object->material()->diffuse().is_set()) {
              if (object->material()->diffuse().overrides()) o << "*";
              o << scprintf("diffuse %10.4f %10.4f %10.4f",
                            object->material()->diffuse().value().red(),
                            object->material()->diffuse().value().green(),
                            object->material()->diffuse().value().blue())
                << endl;
            }
          o << "}" << endl;
        }
      o << "}" << endl;
    }

  Render::render(object);

  if (object->transform().nonnull()) {
      o << "}" << endl;
    }
  o << "}" << endl;
  close_sbuf();
}

void
OOGLRender::set(const Ref<RenderedObjectSet>& set)
{
  ostream o(sbuf_);
  o << "LIST" << endl;
  for (int i=0; i<set->n(); i++) {
      render(set->element(i));
    }
}

void
OOGLRender::sphere(const Ref<RenderedSphere>& sphere)
{
  if (oogl_spheres_) {
      ostream o(sbuf_);
      o << " = SPHERE 1.0 0.0 0.0 0.0" << endl;
    }
  else {
      Render::sphere(sphere);
    }
}

void
OOGLRender::polygons(const Ref<RenderedPolygons>& poly)
{
  ostream o(sbuf_);
  if (poly->have_vertex_rgb()) {
      o << " = COFF" << endl;
    }
  else {
      o << " = OFF" << endl;
    }
  o << poly->nvertex() << " "
    << poly->nface() << " 0" << endl;
  int i;
  for (i=0; i<poly->nvertex(); i++) {
      o << scprintf(" %10.4f %10.4f %10.4f",
                    poly->vertex(i,0),
                    poly->vertex(i,1),
                    poly->vertex(i,2));
      if (poly->have_vertex_rgb()) {
          // The 1.0 is alpha
          o << scprintf(" %10.4f %10.4f %10.4f 1.0",
                        poly->vertex_rgb(i,0),
                        poly->vertex_rgb(i,1),
                        poly->vertex_rgb(i,2));
        }
      o << endl;
    }
  for (i=0; i<poly->nface(); i++) {
      o << " " << poly->nvertex_in_face(i);
      for (int j=0; j<poly->nvertex_in_face(i); j++) {
          o << " " << poly->face(i,j);
        }
      o << endl;
    }
}

void
OOGLRender::polylines(const Ref<RenderedPolylines>& poly)
{
  int i;
  ostream o(sbuf_);

  int nvertex= 0;
  for (i=0; i<poly->npolyline(); i++) nvertex += poly->nvertex_in_polyline(i);
  o << " = VECT" << endl;
  o << poly->npolyline()
    << " " << nvertex
    << " " << (poly->have_vertex_rgb()? nvertex:0)
    << endl;
  for (i=0; i<poly->npolyline(); i++) {
      o << " " << poly->nvertex_in_polyline(i);
    }
  o << endl;
  if (poly->have_vertex_rgb()) {
      for (i=0; i<poly->npolyline(); i++) {
          o << " " << poly->nvertex_in_polyline(i);
        }
    }
  else {
      for (i=0; i<poly->npolyline(); i++) {
          o << " 0";
        }
    }
  o << endl;
  for (i=0; i<poly->npolyline(); i++) {
      for (int j=0; j<poly->nvertex_in_polyline(i); j++) {
          int ivertex = poly->polyline(i,j);
          o << scprintf(" %10.4f %10.4f %10.4f",
                        poly->vertex(ivertex,0),
                        poly->vertex(ivertex,1),
                        poly->vertex(ivertex,2))
            << endl;
        }
    }
  o << endl;
  if (poly->have_vertex_rgb()) {
      for (i=0; i<poly->npolyline(); i++) {
          for (int j=0; j<poly->nvertex_in_polyline(i); j++) {
              int ivertex = poly->polyline(i,j);
              o << scprintf(" %10.4f %10.4f %10.4f 1.0",
                            poly->vertex_rgb(ivertex,0),
                            poly->vertex_rgb(ivertex,1),
                            poly->vertex_rgb(ivertex,2))
                << endl;
            }
        }
      o << endl;
    }
}

/////////////////////////////////////////////////////////////////////////////

// Local Variables:
// mode: c++
// c-file-style: "CLJ"
// End: