| 10 |
|
RigidBodyStamp::RigidBodyStamp(){ |
| 11 |
|
|
| 12 |
|
unhandled = NULL; |
| 13 |
< |
have_position = 0; |
| 14 |
< |
have_orientation = 0; |
| 15 |
< |
have_name = 0; |
| 16 |
< |
have_atoms = 0; |
| 13 |
> |
have_members = 0; |
| 14 |
|
have_extras = 0; |
| 15 |
+ |
n_members = 0; |
| 16 |
+ |
which = 0; |
| 17 |
+ |
|
| 18 |
|
} |
| 19 |
|
|
| 20 |
|
RigidBodyStamp::~RigidBodyStamp(){ |
| 22 |
|
|
| 23 |
|
if( unhandled != NULL ) delete unhandled; |
| 24 |
|
|
| 25 |
< |
if( atoms != NULL ){ |
| 26 |
< |
for( i=0; i<n_atoms; i++ ) delete atoms[i]; |
| 27 |
< |
} |
| 25 |
> |
free(members); |
| 26 |
> |
|
| 27 |
|
} |
| 28 |
|
|
| 30 |
– |
void RigidBodyStamp::setPosition( double x, double y, double z ){ |
| 31 |
– |
|
| 32 |
– |
pos[0] = x; |
| 33 |
– |
pos[1] = y; |
| 34 |
– |
pos[2] = z; |
| 35 |
– |
|
| 36 |
– |
// Do I tell atoms about this? |
| 37 |
– |
|
| 38 |
– |
have_position = 1; |
| 39 |
– |
} |
| 40 |
– |
|
| 41 |
– |
void RigidBodyStamp::setOrientation( double x, double y, double z ){ |
| 42 |
– |
|
| 43 |
– |
ornt[0] = x; |
| 44 |
– |
ornt[1] = y; |
| 45 |
– |
ornt[2] = z; |
| 46 |
– |
|
| 47 |
– |
// Do I tell atoms about this? |
| 48 |
– |
|
| 49 |
– |
have_orientation = 1; |
| 50 |
– |
} |
| 51 |
– |
|
| 29 |
|
char* RigidBodyStamp::assignString( char* lhs, char* rhs ){ |
| 30 |
|
|
| 31 |
< |
if( !strcmp( lhs, "name" ) ){ |
| 32 |
< |
strcpy( name, rhs ); |
| 33 |
< |
have_name = 1; |
| 57 |
< |
} |
| 58 |
< |
else{ |
| 59 |
< |
if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs ); |
| 60 |
< |
else unhandled->add( lhs, rhs ); |
| 61 |
< |
have_extras = 1; |
| 62 |
< |
} |
| 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* RigidBodyStamp::assignDouble( char* lhs, double rhs ){ |
| 39 |
|
int i; |
| 40 |
|
|
| 41 |
< |
if( !strcmp( lhs, "nAtoms" ) ){ |
| 42 |
< |
n_atoms = (int)rhs; |
| 43 |
< |
|
| 44 |
< |
if( have_atoms ){ |
| 41 |
> |
if( !strcmp( lhs, "nMembers" ) ){ |
| 42 |
> |
n_members = (int)rhs; |
| 43 |
> |
|
| 44 |
> |
if( have_members ){ |
| 45 |
|
sprintf( errMsg, |
| 46 |
< |
"RigidBodyStamp error, n_atoms already declared" |
| 47 |
< |
"for RigidBody: %s\n", |
| 76 |
< |
name); |
| 46 |
> |
"RigidBodyStamp error, nMembers already declared" |
| 47 |
> |
" for this RigidBody.\n"); |
| 48 |
|
return strdup( errMsg ); |
| 49 |
|
} |
| 50 |
< |
have_atoms = 1; |
| 51 |
< |
atoms = new AtomStamp*[n_atoms]; |
| 81 |
< |
for( i=0; i<n_atoms; i++ ) atoms[i] = NULL; |
| 50 |
> |
have_members = 1; |
| 51 |
> |
members = (int *) calloc(n_members, sizeof(int)); |
| 52 |
|
} |
| 53 |
|
else { |
| 54 |
|
if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs ); |
| 61 |
|
char* RigidBodyStamp::assignInt( char* lhs, int rhs ){ |
| 62 |
|
int i; |
| 63 |
|
|
| 64 |
< |
if( !strcmp( lhs, "nAtoms" ) ){ |
| 65 |
< |
n_atoms = rhs; |
| 64 |
> |
if( !strcmp( lhs, "nMembers" ) ){ |
| 65 |
> |
n_members = rhs; |
| 66 |
|
|
| 67 |
< |
if( have_atoms ){ |
| 67 |
> |
if( have_members ){ |
| 68 |
|
sprintf( errMsg, |
| 69 |
< |
"RigidBodyStamp error, n_atoms already declared for" |
| 70 |
< |
" RigidBody: %s\n", |
| 101 |
< |
name); |
| 69 |
> |
"RigidBodyStamp error, nMembers already declared for" |
| 70 |
> |
" this RigidBody.\n"); |
| 71 |
|
return strdup( errMsg ); |
| 72 |
|
} |
| 73 |
< |
have_atoms = 1; |
| 74 |
< |
atoms = new AtomStamp*[n_atoms]; |
| 106 |
< |
for( i=0; i<n_atoms; i++ ) atoms[i] = NULL; |
| 73 |
> |
have_members = 1; |
| 74 |
> |
members = (int *) calloc(n_members, sizeof(int)); |
| 75 |
|
} |
| 76 |
|
else { |
| 77 |
|
if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs ); |
| 81 |
|
return NULL; |
| 82 |
|
} |
| 83 |
|
|
| 84 |
< |
char* RigidBodyStamp::addAtom( AtomStamp* the_atom, int atomIndex ){ |
| 85 |
< |
|
| 86 |
< |
if( have_atoms && atomIndex < n_atoms ) atoms[atomIndex] = the_atom; |
| 87 |
< |
else{ |
| 88 |
< |
if( have_atoms ){ |
| 89 |
< |
sprintf( errMsg, "RigidBodyStamp error, %d out of nAtoms range", |
| 90 |
< |
atomIndex ); |
| 84 |
> |
char* RigidBodyStamp::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, "RigidBodyStamp error, %d out of nMembers range", |
| 92 |
> |
which ); |
| 93 |
|
return strdup( errMsg ); |
| 94 |
|
} |
| 95 |
< |
else return strdup("RigidBodyStamp error, nAtoms not given before" |
| 96 |
< |
"first atom declaration." ); |
| 95 |
> |
else return strdup("RigidBodyStamp error, nMembers not given before" |
| 96 |
> |
" member list declaration." ); |
| 97 |
|
} |
| 98 |
|
return NULL; |
| 99 |
|
} |
| 101 |
|
char* RigidBodyStamp::checkMe( void ){ |
| 102 |
|
|
| 103 |
|
int i; |
| 104 |
< |
short int no_atom; |
| 104 |
> |
short int no_member; |
| 105 |
|
|
| 106 |
< |
if( !have_name || !have_atoms ){ |
| 107 |
< |
if( !have_name ) return strdup( "RigidBodyStamp error. RigidBody's name" |
| 138 |
< |
" was not given.\n" ); |
| 139 |
< |
else return strdup( "RigidBodyStamp error. RigidBody contains no atoms." ); |
| 106 |
> |
if( !have_members ){ |
| 107 |
> |
return strdup( "RigidBodyStamp error. RigidBody contains no members." ); |
| 108 |
|
} |
| 109 |
< |
|
| 110 |
< |
no_atom = 0; |
| 143 |
< |
for( i=0; i<n_atoms; i++ ){ |
| 144 |
< |
if( atoms[i] == NULL ) no_atom = 1; |
| 145 |
< |
} |
| 146 |
< |
|
| 147 |
< |
if( no_atom ){ |
| 109 |
> |
|
| 110 |
> |
if (which < n_members) { |
| 111 |
|
sprintf( errMsg, |
| 112 |
< |
"RigidBodyStamp error. Not all of the atoms were" |
| 113 |
< |
" declared in RigidBody \"%s\".\n", name ); |
| 112 |
> |
"RigidBodyStamp error. Not all of the members were" |
| 113 |
> |
" declared for this RigidBody."); |
| 114 |
|
return strdup( errMsg ); |
| 115 |
|
} |
| 116 |
|
|
