| 1 | < | #include "StuntDouble.hpp" | 
| 2 | < | #include "Atom.hpp" | 
| 3 | < | #include "DirectionalAtom.hpp" | 
| 4 | < | #include "RigidBody.hpp" | 
| 5 | < | #include "simError.h" | 
| 1 | > | /* | 
| 2 | > | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
| 3 | > | * | 
| 4 | > | * The University of Notre Dame grants you ("Licensee") a | 
| 5 | > | * non-exclusive, royalty free, license to use, modify and | 
| 6 | > | * redistribute this software in source and binary code form, provided | 
| 7 | > | * that the following conditions are met: | 
| 8 | > | * | 
| 9 | > | * 1. Redistributions of source code must retain the above copyright | 
| 10 | > | *    notice, this list of conditions and the following disclaimer. | 
| 11 | > | * | 
| 12 | > | * 2. Redistributions in binary form must reproduce the above copyright | 
| 13 | > | *    notice, this list of conditions and the following disclaimer in the | 
| 14 | > | *    documentation and/or other materials provided with the | 
| 15 | > | *    distribution. | 
| 16 | > | * | 
| 17 | > | * This software is provided "AS IS," without a warranty of any | 
| 18 | > | * kind. All express or implied conditions, representations and | 
| 19 | > | * warranties, including any implied warranty of merchantability, | 
| 20 | > | * fitness for a particular purpose or non-infringement, are hereby | 
| 21 | > | * excluded.  The University of Notre Dame and its licensors shall not | 
| 22 | > | * be liable for any damages suffered by licensee as a result of | 
| 23 | > | * using, modifying or distributing the software or its | 
| 24 | > | * derivatives. In no event will the University of Notre Dame or its | 
| 25 | > | * licensors be liable for any lost revenue, profit or data, or for | 
| 26 | > | * direct, indirect, special, consequential, incidental or punitive | 
| 27 | > | * damages, however caused and regardless of the theory of liability, | 
| 28 | > | * arising out of the use of or inability to use software, even if the | 
| 29 | > | * University of Notre Dame has been advised of the possibility of | 
| 30 | > | * such damages. | 
| 31 | > | * | 
| 32 | > | * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your | 
| 33 | > | * research, please cite the appropriate papers when you publish your | 
| 34 | > | * work.  Good starting points are: | 
| 35 | > | * | 
| 36 | > | * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). | 
| 37 | > | * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). | 
| 38 | > | * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). | 
| 39 | > | * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 40 | > | * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
| 41 | > | */ | 
| 42 | > |  | 
| 43 | > | /** | 
| 44 | > | * @file StuntDouble.cpp | 
| 45 | > | * @author    tlin | 
| 46 | > | * @date  10/22/2004 | 
| 47 | > | * @version 1.0 | 
| 48 | > | */ | 
| 49 |  |  | 
| 50 | < | /* | 
| 8 | < | "Don't move, or you're dead! Stand up! Captain, we've got them!" | 
| 9 | < |  | 
| 10 | < | "Spectacular stunt, my friends, but all for naught. Turn around | 
| 11 | < | please. Ha. What a pity. What a pity. So, Princess, you thought | 
| 12 | < | you could outwit the imperious forces of...." | 
| 50 | > | #include "primitives/StuntDouble.hpp" | 
| 51 |  |  | 
| 52 | < | "You idiots! These are not them. You've captured their stunt | 
| 15 | < | doubles! Search the area. Find them! Find them!" | 
| 52 | > | namespace OpenMD { | 
| 53 |  |  | 
| 54 | < | StuntDouble is a very strange idea.  A StuntDouble stands in for | 
| 55 | < | some object that can be manipulated by the Integrators or | 
| 56 | < | Minimizers.  Some of the manipulable objects are Atoms, some are | 
| 57 | < | DirectionalAtoms, and some are RigidBodies.  StuntDouble | 
| 58 | < | provides an interface for the Integrators and Minimizers to use, | 
| 22 | < | and does some preliminary sanity checking so that the program | 
| 23 | < | doesn't try to do something stupid like torque an Atom.  (The | 
| 24 | < | quotes above are from Spaceballs...) | 
| 54 | > | StuntDouble::StuntDouble(ObjectType objType, DataStoragePointer storage) : | 
| 55 | > | objType_(objType), storage_(storage), snapshotMan_(NULL), | 
| 56 | > | linear_(false), linearAxis_(-1), globalIndex_(-1), localIndex_(-1), | 
| 57 | > | globalIntegrableObjectIndex_(-1){ | 
| 58 | > | } | 
| 59 |  |  | 
| 60 | < | */ | 
| 60 | > | StuntDouble::~StuntDouble() { | 
| 61 |  |  | 
| 62 | < | StuntDouble::~StuntDouble(){ | 
| 29 | < | map<string, GenericData*>::iterator iter; | 
| 62 | > | } | 
| 63 |  |  | 
| 64 | < | for(iter = properties.begin(); iter != properties.end(); ++iter ){ | 
| 65 | < | delete iter->second; | 
| 66 | < | properties.erase(iter); | 
| 64 | > | void StuntDouble::zeroForcesAndTorques() { | 
| 65 | > | setFrc(V3Zero); | 
| 66 | > | setTrq(V3Zero); | 
| 67 | > | setParticlePot(0.0); | 
| 68 |  | } | 
| 69 | < |  | 
| 70 | < | } | 
| 69 | > | void StuntDouble::addProperty(GenericData* genData) { | 
| 70 | > | properties_.addProperty(genData); | 
| 71 | > | } | 
| 72 |  |  | 
| 73 | < | int StuntDouble::getObjType(){ | 
| 74 | < | return objType; | 
| 40 | < | } | 
| 41 | < |  | 
| 42 | < | double StuntDouble::getMass(){ | 
| 43 | < | switch (objType) | 
| 44 | < | { | 
| 45 | < | case OT_ATOM : | 
| 46 | < | case OT_DATOM: | 
| 47 | < | return ((Atom*)this)->getMass(); | 
| 48 | < | break; | 
| 49 | < | case OT_RIGIDBODY: | 
| 50 | < | return ((RigidBody*)this)->getMass(); | 
| 51 | < | break; | 
| 52 | < | default: | 
| 53 | < | sprintf( painCave.errMsg, | 
| 54 | < | "Unrecognized ObjType (%d) in StuntDouble::getMass.\n", | 
| 55 | < | objType ); | 
| 56 | < | painCave.isFatal = 1; | 
| 57 | < | simError(); | 
| 58 | < | return 0.0; | 
| 59 | < | } | 
| 60 | < | } | 
| 61 | < |  | 
| 62 | < |  | 
| 63 | < | void StuntDouble::getPos(double pos[3]){ | 
| 64 | < | switch (objType) | 
| 65 | < | { | 
| 66 | < | case OT_ATOM : | 
| 67 | < | case OT_DATOM: | 
| 68 | < | ((Atom*)this)->getPos(pos); | 
| 69 | < | break; | 
| 70 | < | case OT_RIGIDBODY: | 
| 71 | < | ((RigidBody*)this)->getPos(pos); | 
| 72 | < | break; | 
| 73 | < | default: | 
| 74 | < | sprintf( painCave.errMsg, | 
| 75 | < | "Unrecognized ObjType (%d) in StuntDouble::getPos.\n", | 
| 76 | < | objType ); | 
| 77 | < | painCave.isFatal = 1; | 
| 78 | < | simError(); | 
| 79 | < | } | 
| 80 | < | } | 
| 81 | < |  | 
| 82 | < | void StuntDouble::getVel(double vel[3]){ | 
| 83 | < | switch (objType) | 
| 84 | < | { | 
| 85 | < | case OT_ATOM : | 
| 86 | < | case OT_DATOM: | 
| 87 | < | ((Atom*)this)->getVel(vel); | 
| 88 | < | break; | 
| 89 | < | case OT_RIGIDBODY: | 
| 90 | < | ((RigidBody*)this)->getVel(vel); | 
| 91 | < | break; | 
| 92 | < | default: | 
| 93 | < | sprintf( painCave.errMsg, | 
| 94 | < | "Unrecognized ObjType (%d) in StuntDouble::getVel.\n", | 
| 95 | < | objType ); | 
| 96 | < | painCave.isFatal = 1; | 
| 97 | < | simError(); | 
| 98 | < | } | 
| 99 | < | } | 
| 100 | < |  | 
| 101 | < | void StuntDouble::getFrc(double frc[3]){ | 
| 102 | < | switch (objType) | 
| 103 | < | { | 
| 104 | < | case OT_ATOM : | 
| 105 | < | case OT_DATOM: | 
| 106 | < | ((Atom*)this)->getFrc(frc); | 
| 107 | < | break; | 
| 108 | < | case OT_RIGIDBODY: | 
| 109 | < | ((RigidBody*)this)->getFrc(frc); | 
| 110 | < | break; | 
| 111 | < | default: | 
| 112 | < | sprintf( painCave.errMsg, | 
| 113 | < | "Unrecognized ObjType (%d) in StuntDouble::getFrc.\n", | 
| 114 | < | objType ); | 
| 115 | < | painCave.isFatal = 1; | 
| 116 | < | simError(); | 
| 117 | < | } | 
| 118 | < | } | 
| 119 | < |  | 
| 120 | < |  | 
| 121 | < | void StuntDouble::setPos(double pos[3]){ | 
| 122 | < | switch (objType) | 
| 123 | < | { | 
| 124 | < | case OT_ATOM : | 
| 125 | < | case OT_DATOM: | 
| 126 | < | ((Atom*)this)->setPos(pos); | 
| 127 | < | break; | 
| 128 | < | case OT_RIGIDBODY: | 
| 129 | < | ((RigidBody*)this)->setPos(pos); | 
| 130 | < | break; | 
| 131 | < | default: | 
| 132 | < | sprintf( painCave.errMsg, | 
| 133 | < | "Unrecognized ObjType (%d) in StuntDouble::setPos.\n", | 
| 134 | < | objType ); | 
| 135 | < | painCave.isFatal = 1; | 
| 136 | < | simError(); | 
| 137 | < | } | 
| 138 | < | } | 
| 139 | < |  | 
| 140 | < | void StuntDouble::setVel(double vel[3]){ | 
| 141 | < |  | 
| 142 | < | switch (objType) | 
| 143 | < | { | 
| 144 | < | case OT_ATOM : | 
| 145 | < | case OT_DATOM: | 
| 146 | < | ((Atom*)this)->setVel(vel); | 
| 147 | < | break; | 
| 148 | < | case OT_RIGIDBODY: | 
| 149 | < | ((RigidBody*)this)->setVel(vel); | 
| 150 | < | break; | 
| 151 | < | default: | 
| 152 | < | sprintf( painCave.errMsg, | 
| 153 | < | "Unrecognized ObjType (%d) in StuntDouble::setVel.\n", | 
| 154 | < | objType ); | 
| 155 | < | painCave.isFatal = 1; | 
| 156 | < | simError(); | 
| 157 | < | } | 
| 158 | < | } | 
| 159 | < |  | 
| 160 | < | void StuntDouble::addFrc(double frc[3]){ | 
| 161 | < | switch (objType) | 
| 162 | < | { | 
| 163 | < | case OT_ATOM : | 
| 164 | < | case OT_DATOM: | 
| 165 | < | ((Atom*)this)->addFrc(frc); | 
| 166 | < | break; | 
| 167 | < | case OT_RIGIDBODY: | 
| 168 | < | ((RigidBody*)this)->addFrc(frc); | 
| 169 | < | break; | 
| 170 | < | default: | 
| 171 | < | sprintf( painCave.errMsg, | 
| 172 | < | "Unrecognized ObjType (%d) in StuntDouble::addFrc.\n", | 
| 173 | < | objType ); | 
| 174 | < | painCave.isFatal = 1; | 
| 175 | < | simError(); | 
| 176 | < | } | 
| 177 | < | } | 
| 178 | < |  | 
| 179 | < | void StuntDouble::getA(double A[3][3]){ | 
| 180 | < | switch (objType) | 
| 181 | < | { | 
| 182 | < | case OT_ATOM: | 
| 183 | < | sprintf( painCave.errMsg, | 
| 184 | < | "StuntDouble::getA was called for a regular atom.\n" | 
| 185 | < | "\tRegular Atoms don't have rotation matrices.  Be smarter.\n"); | 
| 186 | < | painCave.isFatal = 0; | 
| 187 | < | simError(); | 
| 188 | < | // Return unit matrix | 
| 189 | < | A[0][0] = 1;  A[0][1] = 0;  A[0][2] = 0; | 
| 190 | < | A[1][0] = 0;  A[1][1] = 1;  A[1][2] = 0; | 
| 191 | < | A[2][0] = 0;  A[2][1] = 0;  A[2][2] = 1; | 
| 192 | < | break; | 
| 193 | < | case OT_DATOM: | 
| 194 | < | ((DirectionalAtom*)this)->getA(A); | 
| 195 | < | break; | 
| 196 | < | case OT_RIGIDBODY: | 
| 197 | < | ((RigidBody*)this)->getA(A); | 
| 198 | < | break; | 
| 199 | < | default: | 
| 200 | < | sprintf( painCave.errMsg, | 
| 201 | < | "Unrecognized ObjType (%d) in StuntDouble::getA.\n", | 
| 202 | < | objType ); | 
| 203 | < | painCave.isFatal = 1; | 
| 204 | < | simError(); | 
| 73 | > | void StuntDouble::removeProperty(const std::string& propName) { | 
| 74 | > | properties_.removeProperty(propName); | 
| 75 |  | } | 
| 206 | – | } | 
| 76 |  |  | 
| 77 | < | void StuntDouble::setA(double A[3][3]){ | 
| 78 | < | switch (objType) | 
| 210 | < | { | 
| 211 | < | case OT_ATOM: | 
| 212 | < | sprintf( painCave.errMsg, | 
| 213 | < | "StuntDouble::setA was called for a regular atom.\n" | 
| 214 | < | "\tRegular Atoms don't have rotation matrices.  Be smarter.\n"); | 
| 215 | < | painCave.isFatal = 1; | 
| 216 | < | simError(); | 
| 217 | < | break; | 
| 218 | < | case OT_DATOM: | 
| 219 | < | ((DirectionalAtom*)this)->setA(A); | 
| 220 | < | break; | 
| 221 | < | case OT_RIGIDBODY: | 
| 222 | < | ((RigidBody*)this)->setA(A); | 
| 223 | < | break; | 
| 224 | < | default: | 
| 225 | < | sprintf( painCave.errMsg, | 
| 226 | < | "Unrecognized ObjType (%d) in StuntDouble::setA.\n", | 
| 227 | < | objType ); | 
| 228 | < | painCave.isFatal = 1; | 
| 229 | < | simError(); | 
| 230 | < | } | 
| 231 | < | } | 
| 232 | < |  | 
| 233 | < | void StuntDouble::getJ(double j[3]){ | 
| 234 | < | switch (objType) | 
| 235 | < | { | 
| 236 | < | case OT_ATOM: | 
| 237 | < | sprintf( painCave.errMsg, | 
| 238 | < | "StuntDouble::getJ was called for a regular atom.\n" | 
| 239 | < | "\tRegular Atoms don't have angular momentum.  Be smarter.\n"); | 
| 240 | < | painCave.isFatal = 0; | 
| 241 | < | simError(); | 
| 242 | < | // Return zeros. | 
| 243 | < | j[0] = 0; | 
| 244 | < | j[1] = 0; | 
| 245 | < | j[2] = 0; | 
| 246 | < | break; | 
| 247 | < | case OT_DATOM: | 
| 248 | < | ((DirectionalAtom*)this)->getJ(j); | 
| 249 | < | break; | 
| 250 | < | case OT_RIGIDBODY: | 
| 251 | < | ((RigidBody*)this)->getJ(j); | 
| 252 | < | break; | 
| 253 | < | default: | 
| 254 | < | sprintf( painCave.errMsg, | 
| 255 | < | "Unrecognized ObjType (%d) in StuntDouble::getJ.\n", | 
| 256 | < | objType ); | 
| 257 | < | painCave.isFatal = 1; | 
| 258 | < | simError(); | 
| 77 | > | void StuntDouble::clearProperties() { | 
| 78 | > | properties_.clearProperties(); | 
| 79 |  | } | 
| 260 | – | } | 
| 80 |  |  | 
| 81 | < | void StuntDouble::setJ(double j[3]){ | 
| 82 | < | switch (objType) | 
| 83 | < | { | 
| 84 | < | case OT_ATOM: | 
| 85 | < | sprintf( painCave.errMsg, | 
| 86 | < | "StuntDouble::setJ was called for a regular atom.\n" | 
| 268 | < | "\tRegular Atoms don't have angular momentum.  Be smarter.\n"); | 
| 269 | < | painCave.isFatal = 1; | 
| 270 | < | simError(); | 
| 271 | < | break; | 
| 272 | < | case OT_DATOM: | 
| 273 | < | ((DirectionalAtom*)this)->setJ(j); | 
| 274 | < | break; | 
| 275 | < | case OT_RIGIDBODY: | 
| 276 | < | ((RigidBody*)this)->setJ(j); | 
| 277 | < | break; | 
| 278 | < | default: | 
| 279 | < | sprintf( painCave.errMsg, | 
| 280 | < | "Unrecognized ObjType (%d) in StuntDouble::setJ.\n", | 
| 281 | < | objType ); | 
| 282 | < | painCave.isFatal = 1; | 
| 283 | < | simError(); | 
| 284 | < | } | 
| 285 | < | } | 
| 286 | < |  | 
| 287 | < | void StuntDouble::getQ(double q[4] ){ | 
| 288 | < | switch (objType) | 
| 289 | < | { | 
| 290 | < | case OT_ATOM: | 
| 291 | < | sprintf( painCave.errMsg, | 
| 292 | < | "StuntDouble::getJ was called for a regular atom.\n" | 
| 293 | < | "\tRegular Atoms don't have angular momentum.  Be smarter.\n"); | 
| 294 | < | painCave.isFatal = 0; | 
| 295 | < | simError(); | 
| 296 | < | // Return zeros. | 
| 297 | < | q[0] = 0; | 
| 298 | < | q[1] = 0; | 
| 299 | < | q[2] = 0; | 
| 300 | < | q[3] = 0; | 
| 301 | < | break; | 
| 302 | < | case OT_DATOM: | 
| 303 | < | ((DirectionalAtom*)this)->getQ(q); | 
| 304 | < | break; | 
| 305 | < | case OT_RIGIDBODY: | 
| 306 | < | ((RigidBody*)this)->getQ(q); | 
| 307 | < | break; | 
| 308 | < | default: | 
| 309 | < | sprintf( painCave.errMsg, | 
| 310 | < | "Unrecognized ObjType (%d) in StuntDouble::getJ.\n", | 
| 311 | < | objType ); | 
| 312 | < | painCave.isFatal = 1; | 
| 313 | < | simError(); | 
| 81 | > | std::vector<std::string> StuntDouble::getPropertyNames() { | 
| 82 | > | return properties_.getPropertyNames(); | 
| 83 | > | } | 
| 84 | > |  | 
| 85 | > | std::vector<GenericData*> StuntDouble::getProperties() { | 
| 86 | > | return properties_.getProperties(); | 
| 87 |  | } | 
| 315 | – | } | 
| 88 |  |  | 
| 89 | < | void StuntDouble::setQ(double q[4] ){ | 
| 90 | < | switch (objType) | 
| 319 | < | { | 
| 320 | < | case OT_ATOM: | 
| 321 | < | sprintf( painCave.errMsg, | 
| 322 | < | "StuntDouble::setJ was called for a regular atom.\n" | 
| 323 | < | "\tRegular Atoms don't have angular momentum.  Be smarter.\n"); | 
| 324 | < | painCave.isFatal = 1; | 
| 325 | < | simError(); | 
| 326 | < | break; | 
| 327 | < | case OT_DATOM: | 
| 328 | < | ((DirectionalAtom*)this)->setJ(q); | 
| 329 | < | break; | 
| 330 | < | case OT_RIGIDBODY: | 
| 331 | < | ((RigidBody*)this)->setJ(q); | 
| 332 | < | break; | 
| 333 | < | default: | 
| 334 | < | sprintf( painCave.errMsg, | 
| 335 | < | "Unrecognized ObjType (%d) in StuntDouble::setJ.\n", | 
| 336 | < | objType ); | 
| 337 | < | painCave.isFatal = 1; | 
| 338 | < | simError(); | 
| 339 | < | } | 
| 340 | < | } | 
| 341 | < | void StuntDouble::getTrq(double trq[3]){ | 
| 342 | < | switch (objType) | 
| 343 | < | { | 
| 344 | < | case OT_ATOM: | 
| 345 | < | sprintf( painCave.errMsg, | 
| 346 | < | "StuntDouble::getTrq was called for a regular atom.\n" | 
| 347 | < | "\tRegular Atoms don't have torques.  Be smarter.\n"); | 
| 348 | < | painCave.isFatal = 0; | 
| 349 | < | simError(); | 
| 350 | < | // Return zeros. | 
| 351 | < | trq[0] = 0; | 
| 352 | < | trq[1] = 0; | 
| 353 | < | trq[2] = 0; | 
| 354 | < | break; | 
| 355 | < | case OT_DATOM: | 
| 356 | < | ((DirectionalAtom*)this)->getTrq(trq); | 
| 357 | < | break; | 
| 358 | < | case OT_RIGIDBODY: | 
| 359 | < | ((RigidBody*)this)->getTrq(trq); | 
| 360 | < | break; | 
| 361 | < | default: | 
| 362 | < | sprintf( painCave.errMsg, | 
| 363 | < | "Unrecognized ObjType (%d) in StuntDouble::getTrq.\n", | 
| 364 | < | objType ); | 
| 365 | < | painCave.isFatal = 1; | 
| 366 | < | simError(); | 
| 89 | > | GenericData* StuntDouble::getPropertyByName(const std::string& propName) { | 
| 90 | > | return properties_.getPropertyByName(propName); | 
| 91 |  | } | 
| 368 | – | } | 
| 92 |  |  | 
| 370 | – | void StuntDouble::addTrq(double trq[3]){ | 
| 371 | – | switch (objType) | 
| 372 | – | { | 
| 373 | – | case OT_ATOM: | 
| 374 | – | sprintf( painCave.errMsg, | 
| 375 | – | "StuntDouble::addTrq was called for a regular atom.\n" | 
| 376 | – | "\tRegular Atoms don't have torques.  Be smarter.\n"); | 
| 377 | – | painCave.isFatal = 1; | 
| 378 | – | simError(); | 
| 379 | – | break; | 
| 380 | – | case OT_DATOM: | 
| 381 | – | ((DirectionalAtom*)this)->addTrq(trq); | 
| 382 | – | break; | 
| 383 | – | case OT_RIGIDBODY: | 
| 384 | – | ((RigidBody*)this)->addTrq(trq); | 
| 385 | – | break; | 
| 386 | – | default: | 
| 387 | – | sprintf( painCave.errMsg, | 
| 388 | – | "Unrecognized ObjType (%d) in StuntDouble::addTrq.\n", | 
| 389 | – | objType ); | 
| 390 | – | painCave.isFatal = 1; | 
| 391 | – | simError(); | 
| 392 | – | } | 
| 393 | – | } | 
| 93 |  |  | 
| 395 | – | void StuntDouble::getI(double I[3][3]){ | 
| 396 | – | switch (objType) | 
| 397 | – | { | 
| 398 | – | case OT_ATOM: | 
| 399 | – | sprintf( painCave.errMsg, | 
| 400 | – | "StuntDouble::getI was called for a regular atom.\n" | 
| 401 | – | "\tRegular Atoms don't have moments of inertia.  Be smarter.\n"); | 
| 402 | – | painCave.isFatal = 0; | 
| 403 | – | simError(); | 
| 404 | – | // Return zero matrix | 
| 405 | – | I[0][0] = 0;  I[0][1] = 0;  I[0][2] = 0; | 
| 406 | – | I[1][0] = 0;  I[1][1] = 0;  I[1][2] = 0; | 
| 407 | – | I[2][0] = 0;  I[2][1] = 0;  I[2][2] = 0; | 
| 408 | – | break; | 
| 409 | – | case OT_DATOM: | 
| 410 | – | ((DirectionalAtom*)this)->getI(I); | 
| 411 | – | break; | 
| 412 | – | case OT_RIGIDBODY: | 
| 413 | – | ((RigidBody*)this)->getI(I); | 
| 414 | – | break; | 
| 415 | – | default: | 
| 416 | – | sprintf( painCave.errMsg, | 
| 417 | – | "Unrecognized ObjType (%d) in StuntDouble::getI.\n", | 
| 418 | – | objType ); | 
| 419 | – | painCave.isFatal = 1; | 
| 420 | – | simError(); | 
| 421 | – | } | 
| 94 |  | } | 
| 423 | – |  | 
| 424 | – | void StuntDouble::lab2Body(double vec[3]){ | 
| 425 | – | switch (objType) | 
| 426 | – | { | 
| 427 | – | case OT_ATOM: | 
| 428 | – | sprintf( painCave.errMsg, | 
| 429 | – | "StuntDouble::lab2Body was called for a regular atom.\n" | 
| 430 | – | "\tRegular Atoms don't have reference frames.  Be smarter.\n"); | 
| 431 | – | painCave.isFatal = 0; | 
| 432 | – | simError(); | 
| 433 | – | break; | 
| 434 | – | case OT_DATOM: | 
| 435 | – | ((DirectionalAtom*)this)->lab2Body(vec); | 
| 436 | – | break; | 
| 437 | – | case OT_RIGIDBODY: | 
| 438 | – | ((RigidBody*)this)->lab2Body(vec); | 
| 439 | – | break; | 
| 440 | – | default: | 
| 441 | – | sprintf( painCave.errMsg, | 
| 442 | – | "Unrecognized ObjType (%d) in StuntDouble::lab2Body.\n", | 
| 443 | – | objType ); | 
| 444 | – | painCave.isFatal = 1; | 
| 445 | – | simError(); | 
| 446 | – | } | 
| 447 | – | } | 
| 448 | – |  | 
| 449 | – | void StuntDouble::getGrad(double grad[6]){ | 
| 450 | – | double frc[3]; | 
| 451 | – |  | 
| 452 | – | switch (objType) | 
| 453 | – | { | 
| 454 | – | case OT_ATOM: | 
| 455 | – | sprintf( painCave.errMsg, | 
| 456 | – | "StuntDouble::getGrad was called for a regular atom.\n" | 
| 457 | – | "\tRegular Atoms don't have 6 coordinates.  Be smarter.\n"); | 
| 458 | – | painCave.isFatal = 0; | 
| 459 | – | simError(); | 
| 460 | – | ((Atom*)this)->getFrc(frc); | 
| 461 | – | grad[0] = -frc[0]; | 
| 462 | – | grad[1] = -frc[1]; | 
| 463 | – | grad[2] = -frc[2]; | 
| 464 | – | grad[3] = 0.0; | 
| 465 | – | grad[4] = 0.0; | 
| 466 | – | grad[5] = 0.0; | 
| 467 | – | break; | 
| 468 | – | case OT_DATOM: | 
| 469 | – | ((DirectionalAtom*)this)->getGrad(grad); | 
| 470 | – | break; | 
| 471 | – | case OT_RIGIDBODY: | 
| 472 | – | ((RigidBody*)this)->getGrad(grad); | 
| 473 | – | break; | 
| 474 | – | default: | 
| 475 | – | sprintf( painCave.errMsg, | 
| 476 | – | "Unrecognized ObjType (%d) in StuntDouble::getGrad.\n", | 
| 477 | – | objType ); | 
| 478 | – | painCave.isFatal = 1; | 
| 479 | – | simError(); | 
| 480 | – | } | 
| 481 | – | } | 
| 482 | – |  | 
| 483 | – | void StuntDouble::setEuler(double phi, double theta, double psi){ | 
| 484 | – | switch (objType) | 
| 485 | – | { | 
| 486 | – | case OT_ATOM: | 
| 487 | – | sprintf( painCave.errMsg, | 
| 488 | – | "StuntDouble::setEuler was called for a regular atom.\n" | 
| 489 | – | "\tRegular Atoms don't have Euler Angles.  Be smarter.\n"); | 
| 490 | – | painCave.isFatal = 1; | 
| 491 | – | simError(); | 
| 492 | – | break; | 
| 493 | – | case OT_DATOM: | 
| 494 | – | ((DirectionalAtom*)this)->setEuler(phi, theta, psi); | 
| 495 | – | break; | 
| 496 | – | case OT_RIGIDBODY: | 
| 497 | – | ((RigidBody*)this)->setEuler(phi, theta, psi); | 
| 498 | – | break; | 
| 499 | – | default: | 
| 500 | – | sprintf( painCave.errMsg, | 
| 501 | – | "Unrecognized ObjType (%d) in StuntDouble::setA.\n", | 
| 502 | – | objType ); | 
| 503 | – | painCave.isFatal = 1; | 
| 504 | – | simError(); | 
| 505 | – | } | 
| 506 | – | } | 
| 507 | – |  | 
| 508 | – | void StuntDouble::getEulerAngles(double eulers[3]){ | 
| 509 | – | switch (objType) | 
| 510 | – | { | 
| 511 | – | case OT_ATOM: | 
| 512 | – | sprintf( painCave.errMsg, | 
| 513 | – | "StuntDouble::getEulerAngles was called for a regular atom.\n" | 
| 514 | – | "\tRegular Atoms don't have Euler angles.  Be smarter.\n"); | 
| 515 | – | painCave.isFatal = 0; | 
| 516 | – | simError(); | 
| 517 | – | // Return zeros. | 
| 518 | – | eulers[0] = 0; | 
| 519 | – | eulers[1] = 0; | 
| 520 | – | eulers[2] = 0; | 
| 521 | – | break; | 
| 522 | – | case OT_DATOM: | 
| 523 | – | ((DirectionalAtom*)this)->getEulerAngles(eulers); | 
| 524 | – | break; | 
| 525 | – | case OT_RIGIDBODY: | 
| 526 | – | ((RigidBody*)this)->getEulerAngles(eulers); | 
| 527 | – | break; | 
| 528 | – | default: | 
| 529 | – | sprintf( painCave.errMsg, | 
| 530 | – | "Unrecognized ObjType (%d) in StuntDouble::getEulerAngles.\n", | 
| 531 | – | objType ); | 
| 532 | – | painCave.isFatal = 1; | 
| 533 | – | simError(); | 
| 534 | – | } | 
| 535 | – | } | 
| 536 | – |  | 
| 537 | – | double StuntDouble::getZangle(){ | 
| 538 | – | switch (objType) | 
| 539 | – | { | 
| 540 | – | case OT_ATOM: | 
| 541 | – | sprintf( painCave.errMsg, | 
| 542 | – | "StuntDouble::getZangle was called for a regular atom.\n" | 
| 543 | – | "\tRegular Atoms don't have zAngles.  Be smarter.\n"); | 
| 544 | – | painCave.isFatal = 0; | 
| 545 | – | simError(); | 
| 546 | – | // Return zeros. | 
| 547 | – | return 0; | 
| 548 | – | break; | 
| 549 | – | case OT_DATOM: | 
| 550 | – | return ((DirectionalAtom*)this)->getZangle(); | 
| 551 | – | break; | 
| 552 | – | case OT_RIGIDBODY: | 
| 553 | – | return ((RigidBody*)this)->getZangle(); | 
| 554 | – | break; | 
| 555 | – | default: | 
| 556 | – | sprintf( painCave.errMsg, | 
| 557 | – | "Unrecognized ObjType (%d) in StuntDouble::getZangle.\n", | 
| 558 | – | objType ); | 
| 559 | – | painCave.isFatal = 1; | 
| 560 | – | simError(); | 
| 561 | – | return 0; | 
| 562 | – | } | 
| 563 | – | } | 
| 564 | – |  | 
| 565 | – | void StuntDouble::setZangle(double zAngle){ | 
| 566 | – | switch (objType) | 
| 567 | – | { | 
| 568 | – | case OT_ATOM: | 
| 569 | – | sprintf( painCave.errMsg, | 
| 570 | – | "StuntDouble::setZangle was called for a regular atom.\n" | 
| 571 | – | "\tRegular Atoms don't have zAngles.  Be smarter.\n"); | 
| 572 | – | painCave.isFatal = 1; | 
| 573 | – | simError(); | 
| 574 | – | break; | 
| 575 | – | case OT_DATOM: | 
| 576 | – | ((DirectionalAtom*)this)->setZangle(zAngle); | 
| 577 | – | break; | 
| 578 | – | case OT_RIGIDBODY: | 
| 579 | – | ((RigidBody*)this)->setZangle(zAngle); | 
| 580 | – | break; | 
| 581 | – | default: | 
| 582 | – | sprintf( painCave.errMsg, | 
| 583 | – | "Unrecognized ObjType (%d) in StuntDouble::setZangle.\n", | 
| 584 | – | objType ); | 
| 585 | – | painCave.isFatal = 1; | 
| 586 | – | simError(); | 
| 587 | – | } | 
| 588 | – | } | 
| 589 | – |  | 
| 590 | – | void StuntDouble::addZangle(double zAngle){ | 
| 591 | – | switch (objType) | 
| 592 | – | { | 
| 593 | – | case OT_ATOM: | 
| 594 | – | sprintf( painCave.errMsg, | 
| 595 | – | "StuntDouble::addZangle was called for a regular atom.\n" | 
| 596 | – | "\tRegular Atoms don't have zAngles.  Be smarter.\n"); | 
| 597 | – | painCave.isFatal = 1; | 
| 598 | – | simError(); | 
| 599 | – | break; | 
| 600 | – | case OT_DATOM: | 
| 601 | – | ((DirectionalAtom*)this)->addZangle(zAngle); | 
| 602 | – | break; | 
| 603 | – | case OT_RIGIDBODY: | 
| 604 | – | ((RigidBody*)this)->addZangle(zAngle); | 
| 605 | – | break; | 
| 606 | – | default: | 
| 607 | – | sprintf( painCave.errMsg, | 
| 608 | – | "Unrecognized ObjType (%d) in StuntDouble::addZangle.\n", | 
| 609 | – | objType ); | 
| 610 | – | painCave.isFatal = 1; | 
| 611 | – | simError(); | 
| 612 | – | } | 
| 613 | – | } | 
| 614 | – |  | 
| 615 | – | void StuntDouble::addProperty(GenericData* data){ | 
| 616 | – | map<string, GenericData*>::iterator result; | 
| 617 | – | result = properties.find(data->getID()); | 
| 618 | – |  | 
| 619 | – | //we can't simply use  properties[prop->getID()] = prop, | 
| 620 | – | //it will cause memory leak if we already contain a propery which has the same name of prop | 
| 621 | – |  | 
| 622 | – | if(result != properties.end()){ | 
| 623 | – | delete (*result).second; | 
| 624 | – | (*result).second = data; | 
| 625 | – | } | 
| 626 | – | else | 
| 627 | – | properties[data->getID()] = data; | 
| 628 | – |  | 
| 629 | – |  | 
| 630 | – | } | 
| 631 | – | void StuntDouble::removeProperty(const string& propName){ | 
| 632 | – | map<string, GenericData*>::iterator result; | 
| 633 | – |  | 
| 634 | – | result = properties.find(propName); | 
| 635 | – |  | 
| 636 | – | if(result != properties.end()){ | 
| 637 | – | delete result->second; | 
| 638 | – | properties.erase(result); | 
| 639 | – |  | 
| 640 | – | } | 
| 641 | – |  | 
| 642 | – | } | 
| 643 | – | GenericData* StuntDouble::getProperty(const string& propName){ | 
| 644 | – | map<string, GenericData*>::iterator result; | 
| 645 | – |  | 
| 646 | – |  | 
| 647 | – | result = properties.find(propName); | 
| 648 | – |  | 
| 649 | – | if(result != properties.end()) | 
| 650 | – | return (*result).second; | 
| 651 | – | else | 
| 652 | – | return NULL; | 
| 653 | – | } |