| 1 | mmeineke | 790 | #include <stdlib.h> | 
| 2 |  |  | #include <string.h> | 
| 3 | mmeineke | 377 |  | 
| 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 |  |  | } |