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 (21 years, 11 months 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.
#	Content
1	#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	}