mdtools/generic_stamps/TorsionStamp.cpp

#include <cstdlib>
#include <cstring>

#include "TorsionStamp.hpp"

TorsionStamp::TorsionStamp(){
  
  have_mbrs = 0;
  have_constraint = 0;
  
  unhandled = NULL;
  have_extras = 0;
}

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

void TorsionStamp::members( int the_a, int the_b, int the_c, int the_d ){
  
  a = the_a;
  b = the_b;
  c = the_c;
  d = the_d;
  have_mbrs = 1;
}

void TorsionStamp::constrain( double the_constraint ){
  
  constraint = the_constraint;
  have_constraint = 1;
}

void TorsionStamp::assignString( char* lhs, char* rhs ){

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

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

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

char* TorsionStamp::checkMe(){

  if( !have_mbrs ){
    return strdup( "TorsionStamp error. Torsion was not given members." );
  }
  
  return NULL;
}
Revision:	11
Committed:	Tue Jul 9 18:40:59 2002 UTC (22 years ago) by mmeineke
File size:	1231 byte(s)
Log Message:	This commit was generated by cvs2svn to compensate for changes in r10, which included commits to RCS files with non-trunk default branches.
#	User	Rev	Content
1	mmeineke	10	#include <cstdlib>
2			#include <cstring>
3
4			#include "TorsionStamp.hpp"
5
6			TorsionStamp::TorsionStamp(){
7
8			have_mbrs = 0;
9			have_constraint = 0;
10
11			unhandled = NULL;
12			have_extras = 0;
13			}
14
15			TorsionStamp::~TorsionStamp(){
16
17			if( unhandled != NULL ) delete unhandled;
18			}
19
20			void TorsionStamp::members( int the_a, int the_b, int the_c, int the_d ){
21
22			a = the_a;
23			b = the_b;
24			c = the_c;
25			d = the_d;
26			have_mbrs = 1;
27			}
28
29			void TorsionStamp::constrain( double the_constraint ){
30
31			constraint = the_constraint;
32			have_constraint = 1;
33			}
34
35			void TorsionStamp::assignString( char* lhs, char* rhs ){
36
37			if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
38			else unhandled->add( lhs, rhs );
39			have_extras = 1;
40			}
41
42			void TorsionStamp::assignDouble( char* lhs, double rhs ){
43
44			if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
45			else unhandled->add( lhs, rhs );
46			have_extras = 1;
47			}
48
49			void TorsionStamp::assignInt( char* lhs, int rhs ){
50
51			if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
52			else unhandled->add( lhs, rhs );
53			have_extras = 1;
54			}
55
56			char* TorsionStamp::checkMe(){
57
58			if( !have_mbrs ){
59			return strdup( "TorsionStamp error. Torsion was not given members." );
60			}
61
62			return NULL;
63			}