src/types/Component.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 <iostream>
#include <stdlib.h>
#include <string.h>

#include "types/Component.hpp"

Component::Component(){
  
  start_array = NULL;
  have_type = 0;
  have_nMol = 0;
  have_molFraction = 0;
  have_start_array = 0;
}

Component::~Component(){
  
  if( start_array != NULL ) free( start_array );
}

int Component::assignString( char* lhs, char* rhs, char** err ){
  
  char myErr[1000];


  if( !strcmp( lhs, "type" ) ){
    strcpy( type, rhs );
    have_type = 1;
  }

  else{
    sprintf(myErr, "Invalid assignment type for Component: %s = %s\n", lhs, rhs);
    *err = strdup(myErr);
    return 0;
  }

  return 1;
}

int Component::assignInt( char* lhs, int rhs, char** err ){
  
  char myErr[1000];

  if( !strcmp( lhs, "nMol" ) ){
    nMol = rhs;
    have_nMol = 1;
  }

  else if( !strcmp( lhs, "molFraction" ) ){
    if( rhs > 1 || rhs < 0 ){
      sprintf(myErr,"Component error. %d is an invalid molFraction. It must lie between 0 and 1\n",rhs);
      *err = strdup(myErr);
      return 0;
    }
    molFraction = rhs;
    have_molFraction = 1;
  }

  else{
    sprintf(myErr, "Invalid assignment type for Component: %s = %d\n", lhs, rhs);
    *err = strdup(myErr);
    return 0;
  }

  return 1;
}

int Component::assignDouble( char* lhs, double rhs, char** err ){

  char myErr[1000];

  if( !strcmp( lhs, "molFraction" ) ){
    if( rhs > 1 || rhs < 0 ){
      sprintf(myErr,"Component error. %lf is an invalid molFraction. It must lie between 0 and 1\n",rhs);
      *err = strdup(myErr);
      return 0;
    }
    molFraction = rhs;
    have_molFraction = 1;
  }

  else if( !strcmp( lhs, "nMol" ) ){
    nMol = (int) rhs;
    have_nMol = 1;
  }
  
  else{
    sprintf(myErr, "Invalid assignment type for Component: %s = %lf\n", lhs, rhs);
    *err = strdup(myErr);
    return 0;
  }

  return 1;
}

void Component::startIndex( int* the_start_array, int n_elements ){
  
  start_array = the_start_array;
  n_start = n_elements;
  have_start_array = 1;
}

char* Component::checkMe( void ){
  
  if( !have_type ){
    return strdup( "type was not identified for the Component." );
  }

  return NULL;
}
Revision:	1930
Committed:	Wed Jan 12 22:41:40 2005 UTC (19 years, 5 months ago) by gezelter
File size:	4198 byte(s)
Log Message:	merging new_design branch into OOPSE-2.0
#	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 <iostream>
43	#include <stdlib.h>
44	#include <string.h>
45
46	#include "types/Component.hpp"
47
48	Component::Component(){
49
50	start_array = NULL;
51	have_type = 0;
52	have_nMol = 0;
53	have_molFraction = 0;
54	have_start_array = 0;
55	}
56
57	Component::~Component(){
58
59	if( start_array != NULL ) free( start_array );
60	}
61
62	int Component::assignString( char* lhs, char* rhs, char** err ){
63
64	char myErr[1000];
65
66
67	if( !strcmp( lhs, "type" ) ){
68	strcpy( type, rhs );
69	have_type = 1;
70	}
71
72	else{
73	sprintf(myErr, "Invalid assignment type for Component: %s = %s\n", lhs, rhs);
74	*err = strdup(myErr);
75	return 0;
76	}
77
78	return 1;
79	}
80
81	int Component::assignInt( char* lhs, int rhs, char** err ){
82
83	char myErr[1000];
84
85	if( !strcmp( lhs, "nMol" ) ){
86	nMol = rhs;
87	have_nMol = 1;
88	}
89
90	else if( !strcmp( lhs, "molFraction" ) ){
91	if( rhs > 1 \|\| rhs < 0 ){
92	sprintf(myErr,"Component error. %d is an invalid molFraction. It must lie between 0 and 1\n",rhs);
93	*err = strdup(myErr);
94	return 0;
95	}
96	molFraction = rhs;
97	have_molFraction = 1;
98	}
99
100	else{
101	sprintf(myErr, "Invalid assignment type for Component: %s = %d\n", lhs, rhs);
102	*err = strdup(myErr);
103	return 0;
104	}
105
106	return 1;
107	}
108
109	int Component::assignDouble( char* lhs, double rhs, char** err ){
110
111	char myErr[1000];
112
113	if( !strcmp( lhs, "molFraction" ) ){
114	if( rhs > 1 \|\| rhs < 0 ){
115	sprintf(myErr,"Component error. %lf is an invalid molFraction. It must lie between 0 and 1\n",rhs);
116	*err = strdup(myErr);
117	return 0;
118	}
119	molFraction = rhs;
120	have_molFraction = 1;
121	}
122
123	else if( !strcmp( lhs, "nMol" ) ){
124	nMol = (int) rhs;
125	have_nMol = 1;
126	}
127
128	else{
129	sprintf(myErr, "Invalid assignment type for Component: %s = %lf\n", lhs, rhs);
130	*err = strdup(myErr);
131	return 0;
132	}
133
134	return 1;
135	}
136
137	void Component::startIndex( int* the_start_array, int n_elements ){
138
139	start_array = the_start_array;
140	n_start = n_elements;
141	have_start_array = 1;
142	}
143
144	char* Component::checkMe( void ){
145
146	if( !have_type ){
147	return strdup( "type was not identified for the Component." );
148	}
149
150	return NULL;
151	}