src/types/AtomStamp.cpp

/*
 * 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.
 */
 
#include <stdlib.h>
#include <stdio.h>
#include <string.h>
#include <iostream>

#include "types/AtomStamp.hpp"

AtomStamp::AtomStamp(){
  
  unhandled = NULL;
  have_position = 0;
  have_orientation = 0;
  have_type = 0;
  have_extras = 0;
}

AtomStamp::~AtomStamp(){
  
  if( unhandled != NULL ) delete unhandled;
}

void AtomStamp::setPosition( double x, double y, double z ){

  pos[0] = x;
  pos[1] = y;
  pos[2] = z;

  have_position = 1;
}

void AtomStamp::setOrientation( double phi, double theta, double psi ){

  ornt[0] = phi;
  ornt[1] = theta;
  ornt[2] = psi;

  have_orientation = 1;
}

char* AtomStamp::assignString( char* lhs, char* rhs ){

  if( !strcmp( lhs, "type" ) ){
    strcpy( type, rhs );
    have_type = 1;
  }
  else{
    if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
    else unhandled->add( lhs, rhs );
    have_extras = 1;
  }
  return NULL;
}

char* AtomStamp::assignDouble( char* lhs, double rhs ){
  
  if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
  else unhandled->add( lhs, rhs );
  have_extras = 1;
  return NULL;
}

char* AtomStamp::assignInt( char* lhs, int rhs ){
  
  if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
  else unhandled->add( lhs, rhs );
  have_extras = 1;
  return NULL;
}

char* AtomStamp::checkMe( void ){
  
  if( !have_type ){
    return strdup( "AtomStamp error. Atom was untyped." );
  }
  return NULL;
}
Revision:	2204
Committed:	Fri Apr 15 22:04:00 2005 UTC (19 years, 2 months ago) by gezelter
File size:	3500 byte(s)
Log Message:	xemacs has been drafted to perform our indentation services
#	Content
1	/*
2	* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3	*
4	* The University of Notre Dame grants you ("Licensee") a
5	* non-exclusive, royalty free, license to use, modify and
6	* redistribute this software in source and binary code form, provided
7	* that the following conditions are met:
8	*
9	* 1. Acknowledgement of the program authors must be made in any
10	* publication of scientific results based in part on use of the
11	* program. An acceptable form of acknowledgement is citation of
12	* the article in which the program was described (Matthew
13	* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14	* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15	* Parallel Simulation Engine for Molecular Dynamics,"
16	* J. Comput. Chem. 26, pp. 252-271 (2005))
17	*
18	* 2. Redistributions of source code must retain the above copyright
19	* notice, this list of conditions and the following disclaimer.
20	*
21	* 3. Redistributions in binary form must reproduce the above copyright
22	* notice, this list of conditions and the following disclaimer in the
23	* documentation and/or other materials provided with the
24	* distribution.
25	*
26	* This software is provided "AS IS," without a warranty of any
27	* kind. All express or implied conditions, representations and
28	* warranties, including any implied warranty of merchantability,
29	* fitness for a particular purpose or non-infringement, are hereby
30	* excluded. The University of Notre Dame and its licensors shall not
31	* be liable for any damages suffered by licensee as a result of
32	* using, modifying or distributing the software or its
33	* derivatives. In no event will the University of Notre Dame or its
34	* licensors be liable for any lost revenue, profit or data, or for
35	* direct, indirect, special, consequential, incidental or punitive
36	* damages, however caused and regardless of the theory of liability,
37	* arising out of the use of or inability to use software, even if the
38	* University of Notre Dame has been advised of the possibility of
39	* such damages.
40	*/
41
42	#include <stdlib.h>
43	#include <stdio.h>
44	#include <string.h>
45	#include <iostream>
46
47	#include "types/AtomStamp.hpp"
48
49	AtomStamp::AtomStamp(){
50
51	unhandled = NULL;
52	have_position = 0;
53	have_orientation = 0;
54	have_type = 0;
55	have_extras = 0;
56	}
57
58	AtomStamp::~AtomStamp(){
59
60	if( unhandled != NULL ) delete unhandled;
61	}
62
63	void AtomStamp::setPosition( double x, double y, double z ){
64
65	pos[0] = x;
66	pos[1] = y;
67	pos[2] = z;
68
69	have_position = 1;
70	}
71
72	void AtomStamp::setOrientation( double phi, double theta, double psi ){
73
74	ornt[0] = phi;
75	ornt[1] = theta;
76	ornt[2] = psi;
77
78	have_orientation = 1;
79	}
80
81	char* AtomStamp::assignString( char* lhs, char* rhs ){
82
83	if( !strcmp( lhs, "type" ) ){
84	strcpy( type, rhs );
85	have_type = 1;
86	}
87	else{
88	if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
89	else unhandled->add( lhs, rhs );
90	have_extras = 1;
91	}
92	return NULL;
93	}
94
95	char* AtomStamp::assignDouble( char* lhs, double rhs ){
96
97	if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
98	else unhandled->add( lhs, rhs );
99	have_extras = 1;
100	return NULL;
101	}
102
103	char* AtomStamp::assignInt( char* lhs, int rhs ){
104
105	if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
106	else unhandled->add( lhs, rhs );
107	have_extras = 1;
108	return NULL;
109	}
110
111	char* AtomStamp::checkMe( void ){
112
113	if( !have_type ){
114	return strdup( "AtomStamp error. Atom was untyped." );
115	}
116	return NULL;
117	}