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>

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:	963
Committed:	Wed May 17 21:51:42 2006 UTC (18 years, 11 months ago) by tim
File size:	2795 byte(s)
Log Message:	Adding single precision capabilities to c++ side
#	User	Rev	Content
1	chuckv	467	/*
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	gezelter	507	* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
22			* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
23	chuckv	467	* Parallel Simulation Engine for Molecular Dynamics,"
24	gezelter	507	* J. Comput. Chem. 26, pp. 252-271 (2005))
25	chuckv	467	*
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	chuckv	518	#include <string>
55	chuckv	467
56			namespace oopse {
57
58	gezelter	507	class GeometryBuilder{
59	chuckv	467
60
61	gezelter	507	public:
62	chuckv	467
63	tim	963	GeometryBuilder(RealType length,RealType width);
64			GeometryBuilder(RealType length,RealType width, bool twinned);
65	gezelter	507	~GeometryBuilder(){};
66	chuckv	467
67	tim	963	bool isInsidePolyhedron(RealType x, RealType y, RealType z);
68	chuckv	518	void dumpGeometry(const std::string& geomFileName);
69	gezelter	507	private:
70			};
71			}
72	chuckv	467	#endif //APPLICATIONS_NANORODBUILDER_GEOMETRYBUILDER_HPP