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gezelter |
1930 |
/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* non-exclusive, royalty free, license to use, modify and |
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* redistribute this software in source and binary code form, provided |
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* that the following conditions are met: |
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* |
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* 1. Acknowledgement of the program authors must be made in any |
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* publication of scientific results based in part on use of the |
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* program. An acceptable form of acknowledgement is citation of |
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* the article in which the program was described (Matthew |
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* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
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* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
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* Parallel Simulation Engine for Molecular Dynamics," |
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* J. Comput. Chem. 26, pp. 252-271 (2005)) |
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* |
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* 2. Redistributions of source code must retain the above copyright |
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* notice, this list of conditions and the following disclaimer. |
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* |
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* 3. Redistributions in binary form must reproduce the above copyright |
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* notice, this list of conditions and the following disclaimer in the |
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* documentation and/or other materials provided with the |
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* distribution. |
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* |
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* This software is provided "AS IS," without a warranty of any |
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* kind. All express or implied conditions, representations and |
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* warranties, including any implied warranty of merchantability, |
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* fitness for a particular purpose or non-infringement, are hereby |
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* excluded. The University of Notre Dame and its licensors shall not |
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* be liable for any damages suffered by licensee as a result of |
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* using, modifying or distributing the software or its |
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* derivatives. In no event will the University of Notre Dame or its |
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* licensors be liable for any lost revenue, profit or data, or for |
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* direct, indirect, special, consequential, incidental or punitive |
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* damages, however caused and regardless of the theory of liability, |
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* arising out of the use of or inability to use software, even if the |
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* University of Notre Dame has been advised of the possibility of |
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* such damages. |
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*/ |
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gezelter |
1490 |
#include <stdlib.h> |
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#include <stdio.h> |
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#include <string.h> |
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tim |
1492 |
#include "types/MakeStamps.hpp" |
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#include "types/MoleculeStamp.hpp" |
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#include "types/RigidBodyStamp.hpp" |
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#include "types/CutoffGroupStamp.hpp" |
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#include "utils/simError.h" |
51 |
gezelter |
1490 |
#ifdef IS_MPI |
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tim |
1492 |
#include "io/mpiBASS.h" |
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gezelter |
1490 |
#endif // is_mpi |
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LinkedMolStamp::~LinkedMolStamp(){ |
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if( mol_stamp != NULL ) delete mol_stamp; |
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if( next != NULL ) delete next; |
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} |
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void LinkedMolStamp::add( LinkedMolStamp* newbie ){ |
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if( next != NULL ) next->add( newbie ); |
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else{ |
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next = newbie; |
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next->setPrev( this ); |
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} |
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} |
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MoleculeStamp* LinkedMolStamp::match( char* id ){ |
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if( mol_stamp != NULL ){ |
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if(!strcmp( mol_stamp->getID(), id )){ |
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|
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// make sure we aren't hiding somebody else with the same name |
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if(next != NULL ){ |
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if( next->match( id ) != NULL){ |
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sprintf( painCave.errMsg, |
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"Molecule Stamp Error. Two separate of declarations of " |
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"%s present.\n", |
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id ); |
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painCave.isFatal = 1; |
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simError(); |
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#ifdef IS_MPI |
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if( painCave.isEventLoop ){ |
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if( worldRank == 0 ) mpiInterfaceExit(); |
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} |
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#endif //is_mpi |
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} |
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else return mol_stamp; |
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} |
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else return mol_stamp; |
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} |
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} |
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if( next != NULL ) return next->match( id ); |
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return NULL; |
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} |
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LinkedMolStamp* LinkedMolStamp::extract( char* id ){ |
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if( mol_stamp != NULL ){ |
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if(!strcmp( mol_stamp->getID(), id )){ |
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// make sure we aren't hiding somebody else with the same name |
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if(next != NULL ){ |
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if( next->match( id ) != NULL){ |
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sprintf( painCave.errMsg, |
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"Molecule Stamp Error. Two separate of declarations of " |
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"%s present.\n", |
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id ); |
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painCave.isFatal = 1; |
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simError(); |
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#ifdef IS_MPI |
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if( painCave.isEventLoop ){ |
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if( worldRank == 0 ) mpiInterfaceExit(); |
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} |
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#endif //is_mpi |
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} |
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} |
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prev->setNext( next ); |
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if( next != NULL ) next->setPrev( prev ); |
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return this; |
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} |
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} |
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if( next != NULL ) return next->extract( id ); |
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return NULL; |
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} |
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MakeStamps::MakeStamps(){ |
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int i; |
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hash_size = 47; |
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hash_shift = 4; |
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my_mols = new LinkedMolStamp*[hash_size]; |
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for( i=0; i<hash_size; i++ ){ |
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my_mols[i] = new LinkedMolStamp(); |
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} |
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} |
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MakeStamps::~MakeStamps(){ |
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int i; |
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for( i=0; i<hash_size; i++ ){ |
152 |
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if( my_mols[i] != NULL ) delete my_mols[i]; |
153 |
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} |
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delete[] my_mols; |
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} |
156 |
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157 |
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int MakeStamps::hash( char* text ){ |
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159 |
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register unsigned short int i = 0; // loop counter |
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int key = 0; // the hash key |
161 |
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162 |
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while( text[i] != '\0' ){ |
163 |
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key = ( ( key << hash_shift ) + text[i] ) % hash_size; |
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i++; |
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} |
168 |
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169 |
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if( key < 0 ){ |
170 |
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171 |
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// if the key is less than zero, we've had an overflow error |
172 |
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173 |
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sprintf( painCave.errMsg, |
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"There has been an overflow error in the MakeStamps hash key."); |
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painCave.isFatal = 1; |
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simError(); |
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#ifdef IS_MPI |
178 |
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if( painCave.isEventLoop ){ |
179 |
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if( worldRank == 0 ) mpiInterfaceExit(); |
180 |
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} |
181 |
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#endif //is_mpi |
182 |
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} |
183 |
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184 |
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return key; |
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} |
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LinkedMolStamp* MakeStamps::extractMolStamp( char* the_id ){ |
188 |
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int key; |
189 |
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key = hash( the_id ); |
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if( my_mols[key] != NULL ){ |
192 |
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return my_mols[key]->extract( the_id ); |
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} |
194 |
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195 |
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return NULL; |
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} |
197 |
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198 |
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void MakeStamps::addMolStamp( MoleculeStamp* the_stamp ){ |
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200 |
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int key; |
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LinkedMolStamp* linked_mol; |
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203 |
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key = hash( the_stamp->getID() ); |
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linked_mol = new LinkedMolStamp; |
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linked_mol->setStamp( the_stamp ); |
207 |
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208 |
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my_mols[key]->add( linked_mol ); |
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210 |
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} |
211 |
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212 |
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int MakeStamps::newMolecule( event* the_event ){ |
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current_mol = new MoleculeStamp; |
216 |
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return 1; |
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} |
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int MakeStamps::moleculeAssign( event* the_event ){ |
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221 |
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switch( the_event->evt.asmt.asmt_type ){ |
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case STRING: |
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the_event->err_msg = current_mol->assignString( the_event->evt.asmt.lhs, |
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the_event->evt.asmt.rhs.sval ); |
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break; |
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case DOUBLE: |
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the_event->err_msg = current_mol->assignDouble( the_event->evt.asmt.lhs, |
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the_event->evt.asmt.rhs.dval ); |
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break; |
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233 |
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case INT: |
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the_event->err_msg = current_mol->assignInt( the_event->evt.asmt.lhs, |
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the_event->evt.asmt.rhs.ival ); |
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break; |
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default: |
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the_event->err_msg = strdup( "MakeStamp error. Invalid molecule" |
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" assignment type" ); |
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return 0; |
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break; |
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} |
244 |
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if( the_event->err_msg != NULL ) return 0; |
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return 1; |
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} |
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int MakeStamps::moleculeEnd( event* the_event ){ |
249 |
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250 |
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the_event->err_msg = current_mol->checkMe(); |
251 |
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// if err_msg is set, then something is wrong |
252 |
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if( the_event->err_msg != NULL ) return 0; |
253 |
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254 |
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addMolStamp( current_mol ); |
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return 1; |
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} |
257 |
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258 |
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int MakeStamps::newRigidBody( event* the_event ){ |
259 |
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260 |
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current_rigidbody = new RigidBodyStamp; |
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262 |
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the_event->err_msg = current_mol->addRigidBody( current_rigidbody, |
263 |
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the_event->evt.blk_index ); |
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if( the_event->err_msg != NULL ) return 0; |
265 |
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return 1; |
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} |
267 |
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268 |
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int MakeStamps::rigidBodyAssign( event* the_event ){ |
269 |
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270 |
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switch( the_event->evt.asmt.asmt_type ){ |
271 |
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272 |
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case STRING: |
273 |
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the_event->err_msg = |
274 |
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current_rigidbody->assignString( the_event->evt.asmt.lhs, |
275 |
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the_event->evt.asmt.rhs.sval ); |
276 |
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if( the_event->err_msg != NULL ) return 0; |
277 |
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return 1; |
278 |
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break; |
279 |
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280 |
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case DOUBLE: |
281 |
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the_event->err_msg = |
282 |
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current_rigidbody->assignDouble( the_event->evt.asmt.lhs, |
283 |
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the_event->evt.asmt.rhs.dval ); |
284 |
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if( the_event->err_msg != NULL ) return 0; |
285 |
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return 1; |
286 |
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break; |
287 |
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288 |
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case INT: |
289 |
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the_event->err_msg = |
290 |
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current_rigidbody->assignInt( the_event->evt.asmt.lhs, |
291 |
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the_event->evt.asmt.rhs.ival ); |
292 |
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if( the_event->err_msg != NULL ) return 0; |
293 |
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return 1; |
294 |
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break; |
295 |
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296 |
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default: |
297 |
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the_event->err_msg = strdup( "MakeStamp error. Invalid rigidBody" |
298 |
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" assignment type" ); |
299 |
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return 0; |
300 |
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break; |
301 |
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} |
302 |
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return 0; |
303 |
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} |
304 |
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305 |
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int MakeStamps::rigidBodyMembers( event* the_event ){ |
306 |
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307 |
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int i; |
308 |
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309 |
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if( the_event->evt.mbrs.nMembers > 0 ){ |
310 |
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311 |
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for (i = 0; i < the_event->evt.mbrs.nMembers; i++) { |
312 |
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current_rigidbody->addMember(the_event->evt.mbrs.memberList[i]); |
313 |
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} |
314 |
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315 |
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return 1; |
316 |
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317 |
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} else { |
318 |
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the_event->err_msg = strdup( "MakeStamp error. No members in memberList " |
319 |
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" for this rigidBody."); |
320 |
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return 0; |
321 |
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322 |
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} |
323 |
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} |
324 |
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325 |
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int MakeStamps::rigidBodyEnd( event* the_event ){ |
326 |
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327 |
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the_event->err_msg = current_rigidbody->checkMe(); |
328 |
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if( the_event->err_msg != NULL ) return 0; |
329 |
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330 |
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return 1; |
331 |
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} |
332 |
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333 |
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int MakeStamps::newCutoffGroup( event* the_event ){ |
334 |
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|
335 |
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current_cutoffgroup = new CutoffGroupStamp; |
336 |
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|
337 |
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the_event->err_msg = current_mol->addCutoffGroup( current_cutoffgroup, |
338 |
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the_event->evt.blk_index ); |
339 |
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if( the_event->err_msg != NULL ) return 0; |
340 |
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return 1; |
341 |
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} |
342 |
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343 |
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int MakeStamps::cutoffGroupAssign( event* the_event ){ |
344 |
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345 |
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switch( the_event->evt.asmt.asmt_type ){ |
346 |
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347 |
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case STRING: |
348 |
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the_event->err_msg = |
349 |
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current_cutoffgroup->assignString( the_event->evt.asmt.lhs, |
350 |
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the_event->evt.asmt.rhs.sval ); |
351 |
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if( the_event->err_msg != NULL ) return 0; |
352 |
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return 1; |
353 |
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break; |
354 |
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|
355 |
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case DOUBLE: |
356 |
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the_event->err_msg = |
357 |
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current_cutoffgroup->assignDouble( the_event->evt.asmt.lhs, |
358 |
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the_event->evt.asmt.rhs.dval ); |
359 |
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if( the_event->err_msg != NULL ) return 0; |
360 |
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return 1; |
361 |
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break; |
362 |
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|
363 |
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case INT: |
364 |
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the_event->err_msg = |
365 |
|
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current_cutoffgroup->assignInt( the_event->evt.asmt.lhs, |
366 |
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the_event->evt.asmt.rhs.ival ); |
367 |
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if( the_event->err_msg != NULL ) return 0; |
368 |
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return 1; |
369 |
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break; |
370 |
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|
371 |
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default: |
372 |
|
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the_event->err_msg = strdup( "MakeStamp error. Invalid CutoffGroup" |
373 |
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" assignment type" ); |
374 |
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return 0; |
375 |
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break; |
376 |
|
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} |
377 |
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return 0; |
378 |
|
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} |
379 |
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|
380 |
|
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int MakeStamps::cutoffGroupMembers( event* the_event ){ |
381 |
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|
382 |
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int i; |
383 |
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|
384 |
|
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if( the_event->evt.mbrs.nMembers > 0 ){ |
385 |
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|
386 |
|
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for (i = 0; i < the_event->evt.mbrs.nMembers; i++) { |
387 |
|
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current_cutoffgroup->addMember(the_event->evt.mbrs.memberList[i]); |
388 |
|
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} |
389 |
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|
390 |
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return 1; |
391 |
|
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|
392 |
|
|
} else { |
393 |
|
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the_event->err_msg = strdup( "MakeStamp error. No members in memberList " |
394 |
|
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" for this CutoffGroup."); |
395 |
|
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return 0; |
396 |
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|
397 |
|
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} |
398 |
|
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} |
399 |
|
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|
400 |
|
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int MakeStamps::cutoffGroupEnd( event* the_event ){ |
401 |
|
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|
402 |
|
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the_event->err_msg = current_cutoffgroup->checkMe(); |
403 |
|
|
if( the_event->err_msg != NULL ) return 0; |
404 |
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|
405 |
|
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return 1; |
406 |
|
|
} |
407 |
|
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|
408 |
|
|
int MakeStamps::newAtom( event* the_event ){ |
409 |
|
|
|
410 |
|
|
current_atom = new AtomStamp; |
411 |
|
|
|
412 |
|
|
the_event->err_msg = current_mol->addAtom( current_atom, |
413 |
|
|
the_event->evt.blk_index ); |
414 |
|
|
|
415 |
|
|
if( the_event->err_msg != NULL ) return 0; |
416 |
|
|
return 1; |
417 |
|
|
} |
418 |
|
|
|
419 |
|
|
int MakeStamps::atomPosition( event* the_event ){ |
420 |
|
|
|
421 |
|
|
current_atom->setPosition( the_event->evt.pos.x, |
422 |
|
|
the_event->evt.pos.y, |
423 |
|
|
the_event->evt.pos.z ); |
424 |
|
|
return 1; |
425 |
|
|
} |
426 |
|
|
|
427 |
|
|
|
428 |
|
|
int MakeStamps::atomOrientation( event* the_event ){ |
429 |
|
|
|
430 |
|
|
current_atom->setOrientation( the_event->evt.ornt.phi, |
431 |
|
|
the_event->evt.ornt.theta, |
432 |
|
|
the_event->evt.ornt.psi ); |
433 |
|
|
return 1; |
434 |
|
|
} |
435 |
|
|
|
436 |
|
|
int MakeStamps::atomAssign( event* the_event ){ |
437 |
|
|
|
438 |
|
|
switch( the_event->evt.asmt.asmt_type ){ |
439 |
|
|
|
440 |
|
|
case STRING: |
441 |
|
|
the_event->err_msg = |
442 |
|
|
current_atom->assignString( the_event->evt.asmt.lhs, |
443 |
|
|
the_event->evt.asmt.rhs.sval ); |
444 |
|
|
if( the_event->err_msg != NULL ) return 0; |
445 |
|
|
return 1; |
446 |
|
|
break; |
447 |
|
|
|
448 |
|
|
case DOUBLE: |
449 |
|
|
the_event->err_msg = |
450 |
|
|
current_atom->assignDouble( the_event->evt.asmt.lhs, |
451 |
|
|
the_event->evt.asmt.rhs.dval ); |
452 |
|
|
if( the_event->err_msg != NULL ) return 0; |
453 |
|
|
return 1; |
454 |
|
|
break; |
455 |
|
|
|
456 |
|
|
case INT: |
457 |
|
|
the_event->err_msg = |
458 |
|
|
current_atom->assignInt( the_event->evt.asmt.lhs, |
459 |
|
|
the_event->evt.asmt.rhs.ival ); |
460 |
|
|
if( the_event->err_msg != NULL ) return 0; |
461 |
|
|
return 1; |
462 |
|
|
break; |
463 |
|
|
|
464 |
|
|
default: |
465 |
|
|
the_event->err_msg = strdup( "MakeStamp error. Invalid atom" |
466 |
|
|
" assignment type" ); |
467 |
|
|
return 0; |
468 |
|
|
break; |
469 |
|
|
} |
470 |
|
|
return 0; |
471 |
|
|
} |
472 |
|
|
|
473 |
|
|
int MakeStamps::atomEnd( event* the_event ){ |
474 |
|
|
|
475 |
|
|
the_event->err_msg = current_atom->checkMe(); |
476 |
|
|
if( the_event->err_msg != NULL ) return 0; |
477 |
|
|
|
478 |
|
|
return 1; |
479 |
|
|
} |
480 |
|
|
|
481 |
|
|
int MakeStamps::newBond( event* the_event ){ |
482 |
|
|
|
483 |
|
|
current_bond = new BondStamp; |
484 |
|
|
|
485 |
|
|
the_event->err_msg = current_mol->addBond( current_bond, |
486 |
|
|
the_event->evt.blk_index ); |
487 |
|
|
if( the_event->err_msg != NULL ) return 0; |
488 |
|
|
|
489 |
|
|
return 1; |
490 |
|
|
} |
491 |
|
|
|
492 |
|
|
int MakeStamps::bondAssign( event* the_event ){ |
493 |
|
|
|
494 |
|
|
switch( the_event->evt.asmt.asmt_type ){ |
495 |
|
|
|
496 |
|
|
case STRING: |
497 |
|
|
current_bond->assignString( the_event->evt.asmt.lhs, |
498 |
|
|
the_event->evt.asmt.rhs.sval ); |
499 |
|
|
return 1; |
500 |
|
|
break; |
501 |
|
|
|
502 |
|
|
case DOUBLE: |
503 |
|
|
current_bond->assignDouble( the_event->evt.asmt.lhs, |
504 |
|
|
the_event->evt.asmt.rhs.dval ); |
505 |
|
|
return 1; |
506 |
|
|
break; |
507 |
|
|
|
508 |
|
|
case INT: |
509 |
|
|
current_bond->assignInt( the_event->evt.asmt.lhs, |
510 |
|
|
the_event->evt.asmt.rhs.ival ); |
511 |
|
|
return 1; |
512 |
|
|
break; |
513 |
|
|
|
514 |
|
|
default: |
515 |
|
|
the_event->err_msg = strdup( "MakeStamp error. Invalid bond" |
516 |
|
|
" assignment type" ); |
517 |
|
|
return 0; |
518 |
|
|
break; |
519 |
|
|
} |
520 |
|
|
return 0; |
521 |
|
|
} |
522 |
|
|
|
523 |
|
|
int MakeStamps::bondMembers( event* the_event ){ |
524 |
|
|
|
525 |
|
|
if( the_event->evt.mbrs.nMembers == 2 ){ |
526 |
|
|
|
527 |
|
|
current_bond->members( the_event->evt.mbrs.memberList[0], |
528 |
|
|
the_event->evt.mbrs.memberList[1] ); |
529 |
|
|
return 1; |
530 |
|
|
|
531 |
|
|
} else { |
532 |
|
|
the_event->err_msg = strdup( "MakeStamp error. Wrong number of members " |
533 |
|
|
" in bond"); |
534 |
|
|
return 0; |
535 |
|
|
|
536 |
|
|
} |
537 |
|
|
|
538 |
|
|
} |
539 |
|
|
|
540 |
|
|
int MakeStamps::bondConstraint( event* the_event ){ |
541 |
|
|
|
542 |
|
|
current_bond->constrain( the_event->evt.cnstr ); |
543 |
|
|
return 1; |
544 |
|
|
} |
545 |
|
|
|
546 |
|
|
int MakeStamps::bondEnd( event* the_event ){ |
547 |
|
|
|
548 |
|
|
the_event->err_msg = current_bond->checkMe(); |
549 |
|
|
if( the_event->err_msg != NULL ) return 0; |
550 |
|
|
|
551 |
|
|
return 1; |
552 |
|
|
} |
553 |
|
|
|
554 |
|
|
int MakeStamps::newBend( event* the_event ){ |
555 |
|
|
|
556 |
|
|
current_bend = new BendStamp; |
557 |
|
|
|
558 |
|
|
the_event->err_msg = current_mol->addBend( current_bend, |
559 |
|
|
the_event->evt.blk_index ); |
560 |
|
|
if( the_event->err_msg != NULL ) return 0; |
561 |
|
|
|
562 |
|
|
return 1; |
563 |
|
|
} |
564 |
|
|
|
565 |
|
|
int MakeStamps::bendAssign( event* the_event ){ |
566 |
|
|
|
567 |
|
|
switch( the_event->evt.asmt.asmt_type ){ |
568 |
|
|
|
569 |
|
|
case STRING: |
570 |
|
|
current_bend->assignString( the_event->evt.asmt.lhs, |
571 |
|
|
the_event->evt.asmt.rhs.sval ); |
572 |
|
|
return 1; |
573 |
|
|
break; |
574 |
|
|
|
575 |
|
|
case DOUBLE: |
576 |
|
|
current_bend->assignDouble( the_event->evt.asmt.lhs, |
577 |
|
|
the_event->evt.asmt.rhs.dval ); |
578 |
|
|
return 1; |
579 |
|
|
break; |
580 |
|
|
|
581 |
|
|
case INT: |
582 |
|
|
current_bend->assignInt( the_event->evt.asmt.lhs, |
583 |
|
|
the_event->evt.asmt.rhs.ival ); |
584 |
|
|
return 1; |
585 |
|
|
break; |
586 |
|
|
|
587 |
|
|
default: |
588 |
|
|
the_event->err_msg = strdup( "MakeStamp error. Invalid bend" |
589 |
|
|
" assignment type" ); |
590 |
|
|
return 0; |
591 |
|
|
break; |
592 |
|
|
} |
593 |
|
|
return 0; |
594 |
|
|
} |
595 |
|
|
|
596 |
|
|
int MakeStamps::bendMembers( event* the_event ){ |
597 |
|
|
|
598 |
|
|
|
599 |
|
|
switch( the_event->evt.mbrs.nMembers ) { |
600 |
|
|
case 3: |
601 |
|
|
current_bend->members( the_event->evt.mbrs.memberList[0], |
602 |
|
|
the_event->evt.mbrs.memberList[1], |
603 |
|
|
the_event->evt.mbrs.memberList[2]); |
604 |
|
|
return 1; |
605 |
|
|
break; |
606 |
|
|
case 2: |
607 |
|
|
current_bend->members( the_event->evt.mbrs.memberList[0], |
608 |
|
|
the_event->evt.mbrs.memberList[1], |
609 |
|
|
0 ); |
610 |
|
|
return 1; |
611 |
|
|
break; |
612 |
|
|
default: |
613 |
|
|
the_event->err_msg = strdup( "MakeStamp error. Wrong number of members " |
614 |
|
|
"in bend."); |
615 |
|
|
return 0; |
616 |
|
|
break; |
617 |
|
|
} |
618 |
|
|
return 0; |
619 |
|
|
} |
620 |
|
|
|
621 |
|
|
int MakeStamps::bendConstraint( event* the_event ){ |
622 |
|
|
|
623 |
|
|
current_bend->constrain( the_event->evt.cnstr ); |
624 |
|
|
return 1; |
625 |
|
|
} |
626 |
|
|
|
627 |
|
|
int MakeStamps::bendEnd( event* the_event ){ |
628 |
|
|
|
629 |
|
|
the_event->err_msg = current_bend->checkMe(); |
630 |
|
|
if( the_event->err_msg != NULL ) return 0; |
631 |
|
|
|
632 |
|
|
return 1; |
633 |
|
|
} |
634 |
|
|
|
635 |
|
|
int MakeStamps::newTorsion( event* the_event ){ |
636 |
|
|
|
637 |
|
|
current_torsion = new TorsionStamp; |
638 |
|
|
|
639 |
|
|
the_event->err_msg = current_mol->addTorsion( current_torsion, |
640 |
|
|
the_event->evt.blk_index ); |
641 |
|
|
if( the_event->err_msg != NULL ) return 0; |
642 |
|
|
|
643 |
|
|
return 1; |
644 |
|
|
} |
645 |
|
|
|
646 |
|
|
int MakeStamps::torsionAssign( event* the_event ){ |
647 |
|
|
|
648 |
|
|
switch( the_event->evt.asmt.asmt_type ){ |
649 |
|
|
|
650 |
|
|
case STRING: |
651 |
|
|
current_torsion->assignString( the_event->evt.asmt.lhs, |
652 |
|
|
the_event->evt.asmt.rhs.sval ); |
653 |
|
|
return 1; |
654 |
|
|
break; |
655 |
|
|
|
656 |
|
|
case DOUBLE: |
657 |
|
|
current_torsion->assignDouble( the_event->evt.asmt.lhs, |
658 |
|
|
the_event->evt.asmt.rhs.dval ); |
659 |
|
|
return 1; |
660 |
|
|
break; |
661 |
|
|
|
662 |
|
|
case INT: |
663 |
|
|
current_torsion->assignInt( the_event->evt.asmt.lhs, |
664 |
|
|
the_event->evt.asmt.rhs.ival ); |
665 |
|
|
return 1; |
666 |
|
|
break; |
667 |
|
|
|
668 |
|
|
default: |
669 |
|
|
the_event->err_msg = strdup( "MakeStamp error. Invalid torsion" |
670 |
|
|
" assignment type" ); |
671 |
|
|
return 0; |
672 |
|
|
break; |
673 |
|
|
} |
674 |
|
|
return 0; |
675 |
|
|
} |
676 |
|
|
|
677 |
|
|
int MakeStamps::torsionMembers( event* the_event ){ |
678 |
|
|
|
679 |
tim |
1957 |
|
680 |
|
|
switch( the_event->evt.mbrs.nMembers ) { |
681 |
|
|
case 4: |
682 |
gezelter |
1490 |
|
683 |
|
|
current_torsion->members( the_event->evt.mbrs.memberList[0], |
684 |
|
|
the_event->evt.mbrs.memberList[1], |
685 |
|
|
the_event->evt.mbrs.memberList[2], |
686 |
|
|
the_event->evt.mbrs.memberList[3]); |
687 |
|
|
return 1; |
688 |
tim |
1957 |
break; |
689 |
|
|
case 3: |
690 |
|
|
|
691 |
gezelter |
1490 |
|
692 |
tim |
1957 |
current_torsion->members( the_event->evt.mbrs.memberList[0], |
693 |
|
|
the_event->evt.mbrs.memberList[1], |
694 |
|
|
the_event->evt.mbrs.memberList[2], |
695 |
|
|
-1); |
696 |
|
|
|
697 |
|
|
return 1; |
698 |
|
|
break; |
699 |
|
|
default: |
700 |
gezelter |
1490 |
the_event->err_msg = strdup( "MakeStamp error. Wrong number of members " |
701 |
tim |
1957 |
"in torsion."); |
702 |
gezelter |
1490 |
return 0; |
703 |
tim |
1957 |
break; |
704 |
gezelter |
1490 |
} |
705 |
tim |
1957 |
return 0; |
706 |
|
|
|
707 |
gezelter |
1490 |
} |
708 |
|
|
|
709 |
|
|
int MakeStamps::torsionConstraint( event* the_event ){ |
710 |
|
|
|
711 |
|
|
current_torsion->constrain( the_event->evt.cnstr ); |
712 |
|
|
return 1; |
713 |
|
|
} |
714 |
|
|
|
715 |
|
|
int MakeStamps::torsionEnd( event* the_event ){ |
716 |
|
|
|
717 |
|
|
the_event->err_msg = current_torsion->checkMe(); |
718 |
|
|
if( the_event->err_msg != NULL ) return 0; |
719 |
|
|
|
720 |
|
|
return 1; |
721 |
|
|
} |