applications/nanoRodBuilder/GeometryBuilder.hpp

/*
 *  GeometryBuilder.hpp
 *  nanorodBuilder
 *
 *  Created by Charles Vardeman II on 4/4/05.
 *  Copyright 2005 University of Notre Dame. All rights reserved.
 *
 */
/*
 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
 *
 * The University of Notre Dame grants you ("Licensee") a
 * non-exclusive, royalty free, license to use, modify and
 * redistribute this software in source and binary code form, provided
 * that the following conditions are met:
 *
 * 1. Acknowledgement of the program authors must be made in any
 *    publication of scientific results based in part on use of the
 *    program.  An acceptable form of acknowledgement is citation of
 *    the article in which the program was described (Matthew
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
 *    Parallel Simulation Engine for Molecular Dynamics,"
 *    J. Comput. Chem. 26, pp. 252-271 (2005))
 *
 * 2. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 3. Redistributions in binary form must reproduce the above copyright
 *    notice, this list of conditions and the following disclaimer in the
 *    documentation and/or other materials provided with the
 *    distribution.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * arising out of the use of or inability to use software, even if the
 * University of Notre Dame has been advised of the possibility of
 * such damages.
 */


#ifndef APPLICATIONS_NANORODBUILDER_GEOMETRYBUILDER_HPP
#define APPLICATIONS_NANORODBUILDER_GEOMETRYBUILDER_HPP

#include <string>
#include "config.h"

namespace oopse {
        
  class GeometryBuilder{
    
    
  public:
                
    GeometryBuilder(RealType length,RealType width);
    GeometryBuilder(RealType length,RealType width, bool twinned);
    ~GeometryBuilder(){};
                
    bool isInsidePolyhedron(RealType x, RealType y, RealType z);  
    void dumpGeometry(const std::string& geomFileName);
  private:
  };
}
#endif //APPLICATIONS_NANORODBUILDER_GEOMETRYBUILDER_HPP
Revision:	3063
Committed:	Mon Oct 23 20:27:14 2006 UTC (18 years, 6 months ago) by chuckv
File size:	2815 byte(s)
Log Message:	Support for OOPSE RealType.
#	Content
1	/*
2	* GeometryBuilder.hpp
3	* nanorodBuilder
4	*
5	* Created by Charles Vardeman II on 4/4/05.
6	* Copyright 2005 University of Notre Dame. All rights reserved.
7	*
8	*/
9	/*
10	* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
11	*
12	* The University of Notre Dame grants you ("Licensee") a
13	* non-exclusive, royalty free, license to use, modify and
14	* redistribute this software in source and binary code form, provided
15	* that the following conditions are met:
16	*
17	* 1. Acknowledgement of the program authors must be made in any
18	* publication of scientific results based in part on use of the
19	* program. An acceptable form of acknowledgement is citation of
20	* the article in which the program was described (Matthew
21	* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
22	* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
23	* Parallel Simulation Engine for Molecular Dynamics,"
24	* J. Comput. Chem. 26, pp. 252-271 (2005))
25	*
26	* 2. Redistributions of source code must retain the above copyright
27	* notice, this list of conditions and the following disclaimer.
28	*
29	* 3. Redistributions in binary form must reproduce the above copyright
30	* notice, this list of conditions and the following disclaimer in the
31	* documentation and/or other materials provided with the
32	* distribution.
33	*
34	* This software is provided "AS IS," without a warranty of any
35	* kind. All express or implied conditions, representations and
36	* warranties, including any implied warranty of merchantability,
37	* fitness for a particular purpose or non-infringement, are hereby
38	* excluded. The University of Notre Dame and its licensors shall not
39	* be liable for any damages suffered by licensee as a result of
40	* using, modifying or distributing the software or its
41	* derivatives. In no event will the University of Notre Dame or its
42	* licensors be liable for any lost revenue, profit or data, or for
43	* direct, indirect, special, consequential, incidental or punitive
44	* damages, however caused and regardless of the theory of liability,
45	* arising out of the use of or inability to use software, even if the
46	* University of Notre Dame has been advised of the possibility of
47	* such damages.
48	*/
49
50
51	#ifndef APPLICATIONS_NANORODBUILDER_GEOMETRYBUILDER_HPP
52	#define APPLICATIONS_NANORODBUILDER_GEOMETRYBUILDER_HPP
53
54	#include <string>
55	#include "config.h"
56
57	namespace oopse {
58
59	class GeometryBuilder{
60
61
62	public:
63
64	GeometryBuilder(RealType length,RealType width);
65	GeometryBuilder(RealType length,RealType width, bool twinned);
66	~GeometryBuilder(){};
67
68	bool isInsidePolyhedron(RealType x, RealType y, RealType z);
69	void dumpGeometry(const std::string& geomFileName);
70	private:
71	};
72	}
73	#endif //APPLICATIONS_NANORODBUILDER_GEOMETRYBUILDER_HPP