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lammps/lib/atc/ShapeFunction.h
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ShapeFunction.h
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// a data structure for managing interpolation/restriction operations
#ifndef SHAPE_FUNCTION_H
#define SHAPE_FUNCTION_H
#include "DependencyManager.h"
#include "PaqAtcUtility.h"
#include <map.h>
#include <vector.h>
#include <set.h>
#include <pair.h>
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
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