OOPSE/libBASS/CutoffGroupStamp.cpp

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

#include "CutoffGroupStamp.hpp"

char CutoffGroupStamp::errMsg[500];

CutoffGroupStamp::CutoffGroupStamp(){
  
  unhandled = NULL;
  have_members = 0;
  have_extras = 0;
  n_members = 0;
  which = 0;

}

CutoffGroupStamp::~CutoffGroupStamp(){
  int i;
  
  if( unhandled != NULL ) delete unhandled;
  
  free(members);
 
}

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

  if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
  else unhandled->add( lhs, rhs );
  have_extras = 1;
  return NULL;

}

char* CutoffGroupStamp::assignDouble( char* lhs, double rhs ){
  int i;

  if( !strcmp( lhs, "nMembers" ) ){
    n_members = (int)rhs;
    
    if( have_members ){
      sprintf( errMsg,
               "CutoffGroupStamp error, nMembers already declared"
               " for this CutoffGroup.\n");
      return strdup( errMsg );
    }
    have_members = 1;
    members = (int *) calloc(n_members, sizeof(int));    
  } 
  else {
    if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
    else unhandled->add( lhs, rhs );
    have_extras = 1;
  }
  return NULL;
}

char* CutoffGroupStamp::assignInt( char* lhs, int rhs ){
  int i;

  if( !strcmp( lhs, "nMembers" ) ){
    n_members = rhs;

    if( have_members ){
      sprintf( errMsg,
               "CutoffGroupStamp error, nMembers already declared for"
               " this CutoffGroup.\n");
      return strdup( errMsg );
    }
    have_members = 1;
    members = (int *) calloc(n_members, sizeof(int));    
  }
  else {  
    if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
    else unhandled->add( lhs, rhs );
    have_extras = 1;
  }
  return NULL;
}

char* CutoffGroupStamp::addMember( int atomIndex ){

  if( have_members && which < n_members ) {
    members[which] = atomIndex;
    which++;
  } else {
    if( have_members ){
      sprintf( errMsg, "CutoffGroupStamp error, %d out of nMembers range",
               which );
      return strdup( errMsg );
    }
    else return strdup("CutoffGroupStamp error, nMembers not given before"
                       " member list declaration." );
  }
  return NULL;
}

char* CutoffGroupStamp::checkMe( void ){

  int i;
  short int no_member;
  
  if( !have_members ){
    return strdup( "CutoffGroupStamp error. CutoffGroup contains no members." );
  }
 
  if (which < n_members) {
    sprintf( errMsg,
             "CutoffGroupStamp error. Not all of the members were"
             " declared for this CutoffGroup.");
    return strdup( errMsg );
  }
  
  return NULL;
  
}
Revision:	1153
Committed:	Tue May 11 04:21:52 2004 UTC (21 years, 5 months ago) by gezelter
File size:	2623 byte(s)
Log Message:	BASS changes for adding CutoffGroups to molecules. Also restructured the plethora of cutoff radii into one cutoffRadius and one switchingRadius. Also removed the useMolecularCutoffs keyword
#	User	Rev	Content
1	gezelter	1153	#include <stdlib.h>
2			#include <stdio.h>
3			#include <string.h>
4			#include <iostream>
5
6			#include "CutoffGroupStamp.hpp"
7
8			char CutoffGroupStamp::errMsg[500];
9
10			CutoffGroupStamp::CutoffGroupStamp(){
11
12			unhandled = NULL;
13			have_members = 0;
14			have_extras = 0;
15			n_members = 0;
16			which = 0;
17
18			}
19
20			CutoffGroupStamp::~CutoffGroupStamp(){
21			int i;
22
23			if( unhandled != NULL ) delete unhandled;
24
25			free(members);
26
27			}
28
29			char* CutoffGroupStamp::assignString( char* lhs, char* rhs ){
30
31			if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
32			else unhandled->add( lhs, rhs );
33			have_extras = 1;
34			return NULL;
35
36			}
37
38			char* CutoffGroupStamp::assignDouble( char* lhs, double rhs ){
39			int i;
40
41			if( !strcmp( lhs, "nMembers" ) ){
42			n_members = (int)rhs;
43
44			if( have_members ){
45			sprintf( errMsg,
46			"CutoffGroupStamp error, nMembers already declared"
47			" for this CutoffGroup.\n");
48			return strdup( errMsg );
49			}
50			have_members = 1;
51			members = (int *) calloc(n_members, sizeof(int));
52			}
53			else {
54			if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
55			else unhandled->add( lhs, rhs );
56			have_extras = 1;
57			}
58			return NULL;
59			}
60
61			char* CutoffGroupStamp::assignInt( char* lhs, int rhs ){
62			int i;
63
64			if( !strcmp( lhs, "nMembers" ) ){
65			n_members = rhs;
66
67			if( have_members ){
68			sprintf( errMsg,
69			"CutoffGroupStamp error, nMembers already declared for"
70			" this CutoffGroup.\n");
71			return strdup( errMsg );
72			}
73			have_members = 1;
74			members = (int *) calloc(n_members, sizeof(int));
75			}
76			else {
77			if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
78			else unhandled->add( lhs, rhs );
79			have_extras = 1;
80			}
81			return NULL;
82			}
83
84			char* CutoffGroupStamp::addMember( int atomIndex ){
85
86			if( have_members && which < n_members ) {
87			members[which] = atomIndex;
88			which++;
89			} else {
90			if( have_members ){
91			sprintf( errMsg, "CutoffGroupStamp error, %d out of nMembers range",
92			which );
93			return strdup( errMsg );
94			}
95			else return strdup("CutoffGroupStamp error, nMembers not given before"
96			" member list declaration." );
97			}
98			return NULL;
99			}
100
101			char* CutoffGroupStamp::checkMe( void ){
102
103			int i;
104			short int no_member;
105
106			if( !have_members ){
107			return strdup( "CutoffGroupStamp error. CutoffGroup contains no members." );
108			}
109
110			if (which < n_members) {
111			sprintf( errMsg,
112			"CutoffGroupStamp error. Not all of the members were"
113			" declared for this CutoffGroup.");
114			return strdup( errMsg );
115			}
116
117			return NULL;
118
119			}