| 52 |
|
#include "io/mpiBASS.h" |
| 53 |
|
#endif // is_mpi |
| 54 |
|
|
| 55 |
< |
LinkedMolStamp::~LinkedMolStamp(){ |
| 56 |
< |
if( mol_stamp != NULL ) delete mol_stamp; |
| 57 |
< |
if( next != NULL ) delete next; |
| 55 |
> |
MakeStamps::MakeStamps(){ |
| 56 |
|
} |
| 57 |
|
|
| 58 |
< |
void LinkedMolStamp::add( LinkedMolStamp* newbie ){ |
| 58 |
> |
MakeStamps::~MakeStamps(){ |
| 59 |
|
|
| 60 |
< |
if( next != NULL ) next->add( newbie ); |
| 61 |
< |
else{ |
| 62 |
< |
next = newbie; |
| 63 |
< |
next->setPrev( this ); |
| 60 |
> |
std::map<std::string, MoleculeStamp*>::iterator iter; |
| 61 |
> |
|
| 62 |
> |
for (iter=my_mols.begin(); iter!=my_mols.end(); ++iter) { |
| 63 |
> |
delete iter->second; |
| 64 |
|
} |
| 67 |
– |
} |
| 65 |
|
|
| 66 |
< |
MoleculeStamp* LinkedMolStamp::match( char* id ){ |
| 66 |
> |
my_mols.clear(); |
| 67 |
|
|
| 71 |
– |
if( mol_stamp != NULL ){ |
| 72 |
– |
if(!strcmp( mol_stamp->getID(), id )){ |
| 73 |
– |
|
| 74 |
– |
// make sure we aren't hiding somebody else with the same name |
| 75 |
– |
if(next != NULL ){ |
| 76 |
– |
if( next->match( id ) != NULL){ |
| 77 |
– |
sprintf( painCave.errMsg, |
| 78 |
– |
"Molecule Stamp Error. Two separate of declarations of " |
| 79 |
– |
"%s present.\n", |
| 80 |
– |
id ); |
| 81 |
– |
painCave.isFatal = 1; |
| 82 |
– |
simError(); |
| 83 |
– |
#ifdef IS_MPI |
| 84 |
– |
if( painCave.isEventLoop ){ |
| 85 |
– |
if( worldRank == 0 ) mpiInterfaceExit(); |
| 86 |
– |
} |
| 87 |
– |
#endif //is_mpi |
| 88 |
– |
} |
| 89 |
– |
else return mol_stamp; |
| 90 |
– |
} |
| 91 |
– |
else return mol_stamp; |
| 92 |
– |
} |
| 93 |
– |
} |
| 94 |
– |
|
| 95 |
– |
if( next != NULL ) return next->match( id ); |
| 96 |
– |
|
| 97 |
– |
return NULL; |
| 68 |
|
} |
| 69 |
|
|
| 70 |
< |
LinkedMolStamp* LinkedMolStamp::extract( char* id ){ |
| 70 |
> |
MoleculeStamp* MakeStamps::getMolStamp( std::string the_id ){ |
| 71 |
|
|
| 72 |
< |
if( mol_stamp != NULL ){ |
| 103 |
< |
if(!strcmp( mol_stamp->getID(), id )){ |
| 104 |
< |
|
| 105 |
< |
// make sure we aren't hiding somebody else with the same name |
| 106 |
< |
if(next != NULL ){ |
| 107 |
< |
if( next->match( id ) != NULL){ |
| 108 |
< |
sprintf( painCave.errMsg, |
| 109 |
< |
"Molecule Stamp Error. Two separate of declarations of " |
| 110 |
< |
"%s present.\n", |
| 111 |
< |
id ); |
| 112 |
< |
painCave.isFatal = 1; |
| 113 |
< |
simError(); |
| 114 |
< |
#ifdef IS_MPI |
| 115 |
< |
if( painCave.isEventLoop ){ |
| 116 |
< |
if( worldRank == 0 ) mpiInterfaceExit(); |
| 117 |
< |
} |
| 118 |
< |
#endif //is_mpi |
| 119 |
< |
} |
| 120 |
< |
} |
| 121 |
< |
|
| 122 |
< |
prev->setNext( next ); |
| 123 |
< |
if( next != NULL ) next->setPrev( prev ); |
| 124 |
< |
return this; |
| 125 |
< |
} |
| 126 |
< |
} |
| 72 |
> |
std::map<std::string, MoleculeStamp*>::iterator iter; |
| 73 |
|
|
| 74 |
< |
if( next != NULL ) return next->extract( id ); |
| 129 |
< |
|
| 130 |
< |
return NULL; |
| 131 |
< |
} |
| 74 |
> |
iter = my_mols.find(the_id); |
| 75 |
|
|
| 76 |
< |
MakeStamps::MakeStamps(){ |
| 77 |
< |
|
| 78 |
< |
int i; |
| 79 |
< |
|
| 137 |
< |
hash_size = 47; |
| 138 |
< |
hash_shift = 4; |
| 139 |
< |
|
| 140 |
< |
my_mols = new LinkedMolStamp*[hash_size]; |
| 141 |
< |
for( i=0; i<hash_size; i++ ){ |
| 142 |
< |
my_mols[i] = new LinkedMolStamp(); |
| 76 |
> |
if (iter == my_mols.end()) { |
| 77 |
> |
return NULL; |
| 78 |
> |
} else { |
| 79 |
> |
return iter->second; |
| 80 |
|
} |
| 81 |
|
|
| 82 |
|
} |
| 83 |
|
|
| 84 |
< |
MakeStamps::~MakeStamps(){ |
| 84 |
> |
void MakeStamps::addMolStamp( MoleculeStamp* the_stamp ){ |
| 85 |
|
|
| 86 |
< |
int i; |
| 86 |
> |
std::map<std::string, MoleculeStamp*>::iterator iter; |
| 87 |
|
|
| 88 |
< |
for( i=0; i<hash_size; i++ ){ |
| 152 |
< |
if( my_mols[i] != NULL ) delete my_mols[i]; |
| 153 |
< |
} |
| 154 |
< |
delete[] my_mols; |
| 155 |
< |
} |
| 88 |
> |
std::string molStampName(the_stamp->getID()); |
| 89 |
|
|
| 90 |
< |
int MakeStamps::hash( char* text ){ |
| 158 |
< |
|
| 159 |
< |
register unsigned short int i = 0; // loop counter |
| 160 |
< |
int key = 0; // the hash key |
| 161 |
< |
|
| 162 |
< |
while( text[i] != '\0' ){ |
| 163 |
< |
|
| 164 |
< |
key = ( ( key << hash_shift ) + text[i] ) % hash_size; |
| 165 |
< |
|
| 166 |
< |
i++; |
| 167 |
< |
} |
| 168 |
< |
|
| 169 |
< |
if( key < 0 ){ |
| 170 |
< |
|
| 171 |
< |
// if the key is less than zero, we've had an overflow error |
| 90 |
> |
iter = my_mols.find(molStampName); |
| 91 |
|
|
| 92 |
+ |
if (iter != my_mols.end()) { |
| 93 |
|
sprintf( painCave.errMsg, |
| 94 |
< |
"There has been an overflow error in the MakeStamps hash key."); |
| 94 |
> |
"Molecule Stamp Error. Two separate of declarations of " |
| 95 |
> |
"%s present.\n", |
| 96 |
> |
the_stamp->getID()); |
| 97 |
|
painCave.isFatal = 1; |
| 98 |
|
simError(); |
| 99 |
|
#ifdef IS_MPI |
| 101 |
|
if( worldRank == 0 ) mpiInterfaceExit(); |
| 102 |
|
} |
| 103 |
|
#endif //is_mpi |
| 104 |
< |
} |
| 105 |
< |
|
| 106 |
< |
return key; |
| 185 |
< |
} |
| 186 |
< |
|
| 187 |
< |
LinkedMolStamp* MakeStamps::extractMolStamp( char* the_id ){ |
| 188 |
< |
int key; |
| 189 |
< |
|
| 190 |
< |
key = hash( the_id ); |
| 191 |
< |
if( my_mols[key] != NULL ){ |
| 192 |
< |
return my_mols[key]->extract( the_id ); |
| 104 |
> |
|
| 105 |
> |
} else { |
| 106 |
> |
my_mols.insert(std::map<std::string, MoleculeStamp*>::value_type(molStampName, the_stamp)); |
| 107 |
|
} |
| 194 |
– |
|
| 195 |
– |
return NULL; |
| 108 |
|
} |
| 109 |
|
|
| 198 |
– |
void MakeStamps::addMolStamp( MoleculeStamp* the_stamp ){ |
| 110 |
|
|
| 200 |
– |
int key; |
| 201 |
– |
LinkedMolStamp* linked_mol; |
| 202 |
– |
|
| 203 |
– |
key = hash( the_stamp->getID() ); |
| 204 |
– |
|
| 205 |
– |
linked_mol = new LinkedMolStamp; |
| 206 |
– |
linked_mol->setStamp( the_stamp ); |
| 207 |
– |
|
| 208 |
– |
my_mols[key]->add( linked_mol ); |
| 209 |
– |
|
| 210 |
– |
} |
| 211 |
– |
|
| 212 |
– |
|
| 111 |
|
int MakeStamps::newMolecule( event* the_event ){ |
| 112 |
|
|
| 113 |
|
current_mol = new MoleculeStamp; |
