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。

源代码在线查看: render.h

软件大小: 2014 K
上传用户: shicg666666
关键词: CHARMM DFT 化学 量子
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相关代码

				//				// render.h				//				// Copyright (C) 1996 Limit Point Systems, Inc.				//				// Author: Curtis Janssen 				// 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.				//								#ifdef __GNUC__				#pragma interface				#endif								#ifndef _util_render_render_h				#define _util_render_render_h								#include 				#include 				#include 				#include 				#include 								namespace sc {								class RenderedObject;				class AnimatedObject;				class RenderedObjectSet;				class RenderedSphere;				class RenderedPolygons;				class RenderedPolylines;								class Render: public DescribedClass {				  protected:				    Ref default_material_;				    Ref default_appearance_;				    Ref default_transform_;								    Stack material_stack_;				    Stack appearance_stack_;				    Stack transform_stack_;								    virtual void push_material(const Ref& m);				    virtual void push_appearance(const Ref& a);				    virtual void push_transform(const Ref& t);				    virtual Ref pop_material();				    virtual Ref pop_appearance();				    virtual Ref pop_transform();								  public:				    Render();				    Render(const Ref&);				    virtual ~Render();								    Ref default_material() { return default_material_; }				    Ref default_appearance() { return default_appearance_; }				    Ref default_transform() { return default_transform_; }				    void default_material(const Ref& m) { default_material_ = m; }				    void default_appearance(const Ref& a) {default_appearance_ = a;}				    void default_transform(const Ref& t) {default_transform_ = t;}								    virtual void clear() = 0;								    virtual void render(const Ref&);				    virtual void animate(const Ref &);								    virtual void set(const Ref&);				    virtual void sphere(const Ref&);				    virtual void polygons(const Ref&) = 0;				    virtual void polylines(const Ref&) = 0;				};												class FileRender: public Render {				  protected:				    char* filename_;				    char* basename_;				    std::streambuf *sbuf_;				    int delete_sbuf_;				    int depth_;								    char *get_filename(const char *objectname);				    void open_sbuf(const char *objectname);				    void close_sbuf();				  public:				    FileRender(const char * filename);				    FileRender(std::ostream &o = ExEnv::out0());				    FileRender(const Ref&);				    virtual ~FileRender();								    void clear();								    virtual void set_filename(const char *name);				    virtual void set_basename(const char *name);				    virtual const char *file_extension();				};								}								#endif								// Local Variables:				// mode: c++				// c-file-style: "CLJ"				// End:							

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