| 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 |
} |
