1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521
|
// a data structure for managing interpolation/restriction operations
#ifndef SHAPE_FUNCTION_H
#define SHAPE_FUNCTION_H
#include "DependencyManager.h"
#include "PaqAtcUtility.h"
#include <map>
#include <vector>
#include <set>
#include <pair>
namespace ATC {
// forward declarations
class FE_Engine;
class ATC_Method;
class LammpsInterface;
// type defs
typedef pair< vector<double>, vector<int> > POINT_VAL;
typedef pair< vector<vector<double> >, vector<int> > POINT_GRAD;
/**
* @class FeEngineInterface
* @class Base class for defining interfaces to the finite element engine to handle different shape functions
*/
class FeEngineInterface {
public:
// constructor
FeEngineInterface(FE_Engine * feEngine, DENS_MAN * coordinates) : feEngine_(feEngine), coordinates_(coordinates) {};
// destructor
virtual ~FeEngineInterface() {};
/** evaluate shape function at a set of coordinates */
virtual void evaluate_shape_function(int index,
POINT_VAL & data) = 0;
protected:
/** pointer to the engine */
FE_Engine * feEngine_;
/** quantity defining locations */
DENS_MAN * coordinates_;
private:
// do not define
FeEngineInterface();
};
/**
* @class FeEngineInterfacePu
* @class Interfaces to the finite element engine to handle partition of unity (PU) shape functions
*/
class FeEngineInterfacePu : public FeEngineInterface {
public:
// constructor
FeEngineInterfacePu(FE_Engine * feEngine) : FeEngineInterface(feEngine) {};
// destructor
virtual ~FeEngineInterfacePu() {};
/** evaluate shape function at a set of coordinates */
virtual void evaluate_shape_function(int index,
POINT_VAL & data);
protected:
/** pointer to the point to element map */
MatrixDependencyManager<DenseMatrix, int> * pointToElementMap_;
private:
// do not define
FeEngineInterfacePu();
};
/**
* @class FeEngineInterfaceMls
* @class Interfaces to the finite element engine to handle moving least squares (MLS) shape functions
*/
class FeEngineInterfaceMls : public FeEngineInterface {
public:
// constructor
FeEngineInterfaceMls(FE_Engine * feEngine) : FeEngineInterface(feEngine) {};
// destructor
virtual ~FeEngineInterfaceMls() {};
/** evaluate shape function at a set of coordinates */
virtual void evaluate_shape_function(int index,
POINT_VAL & data);
protected:
private:
// do not define
FeEngineInterfaceMls();
};
/**
* @class ShapeFunctionBase
* @class Base class for defining shape functions for restriction and interpolation
*/
class ShapeFunctionBase : public DependencyManager {
public:
// constructor
// discriminate engine interface based on point to element map presence?
// could also add a manager and pass the interface in on construction
ShapeFunctionBase(FE_Engine * feEngine,
DENS_MAN * coordinates) : DependencyManager(), feEngineInterface_(feEngine), coordinates_(coordinates)
{coordinates_->register_dependence(this)};
// destructor
virtual ~ShapeFunctionBase() {coordinates_->remove_dependence(this)};
/** use the shape function as a restriction operator */
virtual void restrict(const DENS_MAT & input,
DENS_MAT & output) = 0;
/** apply the restriction on a subset of points */
virtual void restrict(const DENS_MAT & input,
DENS_MAT & output,
const set<int> & points) = 0;
/** apply the restriction on a subset of points discriminating with booleans */
virtual void restrict(const DENS_MAT & input,
DENS_MAT & output,
const Array<bool> & points) = 0;
/** use the shape function as an interpolation operator */
virtual void interpolation(const DENS_MAT & input,
DENS_MAT & output) = 0;
/** apply the interpolation on a subset of points */
virtual void interpolation(const DENS_MAT & input,
DENS_MAT & output,
const set<int> & points) = 0;
/** apply the interpolation on a subset of points discriminating with booleans */
virtual void interpolation(const DENS_MAT & input,
DENS_MAT & output,
const Array<bool> & points) = 0;
protected:
/** apply a reset if needed */
virtual void reset() = 0;
/** object to interface with the engine */
FeEngineInterface * feEngineInterface_;
/** quantity defining locations */
DENS_MAN * coordinates_;
private:
// do not define
ShapeFunctionBase();
};
/**
* @class ShapeFunction
* @class Defines general shape functions for restriction and interpolation
*/
class ShapeFunction : public ShapeFunctionBase {
public:
// constructor
// discriminate engine interface based on point to element map presence?
ShapeFunction(FE_Engine * feEngine,
DENS_MAN * coordinates) : ShapeFunctionBase(feEngine,coordinates) {values.reserve(coordinates->nRows();};
// destructor
virtual ~ShapeFunction() {};
/** use the shape function as a restriction operator */
virtual void restrict(const DENS_MAT & input,
DENS_MAT & output);
/** apply the restriction on a subset of points */
virtual void restrict(const DENS_MAT & input,
DENS_MAT & output,
const set<int> & points);
/** apply the restriction on a subset of points discriminating with booleans */
virtual void restrict(const DENS_MAT & input,
DENS_MAT & output,
const Array<bool> & points);
/** use the shape function as an interpolation operator */
virtual void interpolation(const DENS_MAT & input,
DENS_MAT & output);
/** apply the interpolation on a subset of points */
virtual void interpolation(const DENS_MAT & input,
DENS_MAT & output,
const set<int> & points);
/** apply the interpolation on a subset of points discriminating with booleans */
virtual void interpolation(const DENS_MAT & input,
DENS_MAT & output,
const Array<bool> & points);
protected:
/** apply a reset if needed */
virtual void reset();
/** storage for shape function values, indexed by rows of coordinates */
vector<POINT_VAL> values;
private:
// do not define
ShapeFunction();
};
/**
* @class ShapeFunctionAtomic
* @class Defines shape functions for restriction and interpolation for atomic data
*/
class ShapeFunctionAtomic : public ShapeFunctionBase {
public:
// constructor
// discriminate engine interface based on point to element map presence?
ShapeFunctionAtomic(ATC_Method * atc,
DENS_MAN * coordinates,
AtomType atomType) : ShapeFunctionBase(atc->fe_engine(),coordinates), atc_(atc,atomType), quantityToLammps_(atc_.atc_to_lammps_map()) {};
// destructor
virtual ~ShapeFunctionAtomic() {};
/** use the shape function as a restriction operator */
virtual void restrict(const DENS_MAT & input,
DENS_MAT & output);
/** apply the restriction on a subset of points */
virtual void restrict(const DENS_MAT & input,
DENS_MAT & output,
const set<int> & points);
/** apply the restriction on a subset of points discriminating with booleans */
virtual void restrict(const DENS_MAT & input,
DENS_MAT & output,
const Array<bool> & points);
/** use the shape function as an interpolation operator */
virtual void interpolation(const DENS_MAT & input,
DENS_MAT & output);
/** apply the interpolation on a subset of points */
virtual void interpolation(const DENS_MAT & input,
DENS_MAT & output,
const set<int> & points);
/** apply the interpolation on a subset of points discriminating with booleans */
virtual void interpolation(const DENS_MAT & input,
DENS_MAT & output,
const Array<bool> & points);
protected:
/** apply a reset if needed */
virtual void reset();
/** storage for shape function values, map is based on lammps global index */
map<int,POINT_VAL> values;
/** interface to atc functionality */
PaqAtcUtility atc_;
/** interface to lammps functionality */
LammpsInterface * lammpsInterface_;
/** map from this quantity's AtC indexing to Lammps local indexing for atomic arrays */
const Array<int> & quantityToLammps_;
private:
// do not define
ShapeFunctionAtomic();
};
/**
* @class ShapeFunctionAtomicMask
* @class Defines shape functions for restriction and interpolation for atomic data, but only on a subset of either ghost or internal
*/
class ShapeFunctionAtomicMask : public ShapeFunctionAtomic {
public:
// constructor
// discriminate engine interface based on point to element map presence?
ShapeFunctionAtomicMask(ATC_Method * atc,
DENS_MAN * coordinates,
AtomType atomType,
PerAtomQuantity<bool> * mask) : ShapeFunctionAtomic(atc,coordinates,atomType), mask_(mask) {mask_->register_dependence(this);};
// destructor
virtual ~ShapeFunctionAtomicMask() {mask_->remove_dependence(this);};
protected:
/** apply a reset if needed */
virtual void reset();
/** mask to screen out atoms */
PerAtomQuantity<bool> * mask_;
private:
// do not define
ShapeFunctionAtomicMask();
};
/**
* @class ShapeFunctionGrad
* @class Defines general shape gradients functions for restriction and interpolation
*/
class ShapeFunctionGrad : public ShapeFunctionBase {
public:
// constructor
// discriminate engine interface based on point to element map presence?
ShapeFunctionGrad(FE_Engine * feEngine,
DENS_MAN * coordinates) : ShapeFunctionBase(feEngine,coordinates) {values.reserve(coordinates->nRows();};
// destructor
virtual ~ShapeFunctionGrad() {};
/** use the shape function as a restriction operator */
virtual void restrict(const DENS_MAT & input,
DENS_MAT & output);
/** apply the restriction on a subset of points */
virtual void restrict(const DENS_MAT & input,
DENS_MAT & output,
const set<int> & points);
/** apply the restriction on a subset of points discriminating with booleans */
virtual void restrict(const DENS_MAT & input,
DENS_MAT & output,
const Array<bool> & points);
/** use the shape function as an interpolation operator */
virtual void interpolation(const DENS_MAT & input,
DENS_MAT & output);
/** apply the interpolation on a subset of points */
virtual void interpolation(const DENS_MAT & input,
DENS_MAT & output,
const set<int> & points);
/** apply the interpolation on a subset of points discriminating with booleans */
virtual void interpolation(const DENS_MAT & input,
DENS_MAT & output,
const Array<bool> & points);
protected:
/** apply a reset if needed */
virtual void reset();
/** storage for shape function gradients, indexed by rows of coordinates */
vector<POINT_GRAD> values;
private:
// do not define
ShapeFunctionGrad();
};
/**
* @class ShapeFunctionGradAtomic
* @class Defines shape functions gradients for restriction and interpolation for atomic data
*/
class ShapeFunctionGradAtomic : public ShapeFunctionBase {
public:
// constructor
// discriminate engine interface based on point to element map presence?
ShapeFunctionGradAtomic(ATC_Method * atc,
DENS_MAN * coordinates,
AtomType atomType) : ShapeFunctionBase(atc->fe_engine(),coordinates), atc_(atc,atomType), quantityToLammps_(atc_.atc_to_lammps_map()) {};
// destructor
virtual ~ShapeFunctionGradAtomic() {};
/** use the shape function as a restriction operator */
virtual void restrict(const DENS_MAT & input,
DENS_MAT & output);
/** apply the restriction on a subset of points */
virtual void restrict(const DENS_MAT & input,
DENS_MAT & output,
const set<int> & points);
/** apply the restriction on a subset of points discriminating with booleans */
virtual void restrict(const DENS_MAT & input,
DENS_MAT & output,
const Array<bool> & points);
/** use the shape function as an interpolation operator */
virtual void interpolation(const DENS_MAT & input,
DENS_MAT & output);
/** apply the interpolation on a subset of points */
virtual void interpolation(const DENS_MAT & input,
DENS_MAT & output,
const set<int> & points);
/** apply the interpolation on a subset of points discriminating with booleans */
virtual void interpolation(const DENS_MAT & input,
DENS_MAT & output,
const Array<bool> & points);
protected:
/** apply a reset if needed */
virtual void reset();
/** storage for shape function values, map is based on lammps global index */
map<int,POINT_GRAD> values;
/** interface to atc functionality */
PaqAtcUtility atc_;
/** interface to lammps functionality */
LammpsInterface * lammpsInterface_;
/** map from this quantity's AtC indexing to Lammps local indexing for atomic arrays */
const Array<int> & quantityToLammps_;
private:
// do not define
ShapeFunctionGradAtomic();
};
/**
* @class ShapeFunctionGradAtomicMask
* @class Defines shape function gradients s for restriction and interpolation for atomic data, but only on a subset of either ghost or internal
*/
class ShapeFunctionGradAtomicMask : public ShapeFunctionGradAtomic {
public:
// constructor
// discriminate engine interface based on point to element map presence?
ShapeFunctionGradAtomicMask(ATC_Method * atc,
DENS_MAN * coordinates,
AtomType atomType,
PerAtomQuantity<bool> * mask) : ShapeFunctionGradAtomic(atc,coordinates,atomType), mask_(mask) {mask_->register_dependence(this);};
// destructor
virtual ~ShapeFunctionGradAtomicMask() {mask_->remove_dependence(this);};
protected:
/** apply a reset if needed */
virtual void reset();
/** mask to screen out atoms */
PerAtomQuantity<bool> * mask_;
private:
// do not define
ShapeFunctionGradAtomicMask();
};
};
#endif
|