64 static const std::size_t sizeofFields_;
105 void checkSiteListSizes()
const;
107 void setInteracionSiteBools
113 bool linearMoleculeTest()
const;
151 inline scalar
mass()
const;
178 inline label part()
const 201 scalar potentialEnergy_;
217 tensor rotationTensorX(scalar deltaT)
const;
219 tensor rotationTensorY(scalar deltaT)
const;
221 tensor rotationTensorZ(scalar deltaT)
const;
236 const label tetFaceI,
300 inline const tensor&
Q()
const;
303 inline const vector&
v()
const;
306 inline const vector&
a()
const;
346 const scalar trackFraction,
const Field< vector > & siteReferencePositions() const
void setSitePositions(const constantProperties &constProps)
void T(FieldField< Field, Type > &f1, const FieldField< Field, Type > &f2)
const vector & tau() const
const List< vector > & sitePositions() const
An Istream is an abstract base class for all input systems (streams, files, token lists etc)...
intWM_LABEL_SIZE_t label
A label is an int32_t or int64_t as specified by the pre-processor macro WM_LABEL_SIZE.
Class used to pass tracking data to the trackToFace function.
const List< vector > & siteForces() const
const List< scalar > & siteCharges() const
A list of keyword definitions, which are a keyword followed by any number of values (e...
const vector & pi() const
A patch is a list of labels that address the faces in the global face list.
const List< scalar > & siteMasses() const
Class to hold molecule constant properties.
void hitProcessorPatch(const processorPolyPatch &, trackingData &td)
Overridable function to handle the particle hitting a processorPatch.
const List< label > & siteIds() const
bool move(trackingData &, const scalar trackTime)
Neighbour processor patch.
const vector & position() const
Return current particle position.
autoPtr< particle > clone() const
Construct and return a clone.
const polyMesh & mesh_
Reference to the polyMesh database.
const polyMesh & mesh() const
Return the mesh database.
A cloud is a collection of lagrangian particles.
bool hitPatch(const polyPatch &, trackingData &td, const label patchI, const scalar trackFraction, const tetIndices &tetIs)
Overridable function to handle the particle hitting a patch.
const List< bool > & pairPotentialSites() const
friend Ostream & operator<<(Ostream &, const molecule &)
molecule(const polyMesh &mesh, const vector &position, const label cellI, const label tetFaceI, const label tetPtI, const tensor &Q, const vector &v, const vector &a, const vector &pi, const vector &tau, const vector &specialPosition, const constantProperties &constProps, const label special, const label id)
Construct from components.
label degreesOfFreedom() const
virtual void transformProperties(const tensor &T)
Transform the physical properties of the particle.
void hitWallPatch(const wallPolyPatch &, trackingData &td, const tetIndices &)
Overridable function to handle the particle hitting a wallPatch.
Mesh consisting of general polyhedral cells.
const tensor & rf() const
An Ostream is an abstract base class for all output systems (streams, files, token lists...
bool pairPotentialSite(label sId) const
bool electrostaticSite(label sId) const
static void writeFields(const Cloud< molecule > &mC)
Base cloud calls templated on particle type.
const diagTensor & momentOfInertia() const
void setSiteSizes(label size)
bool linearMolecule() const
Factory class to read-construct particles used for.
This function object reads fields from the time directories and adds them to the mesh database for fu...
bool pointMolecule() const
Storage and named access for the indices of a tet which is part of the decomposition of a cell...
const List< bool > & electrostaticSites() const
This function object calculates and outputs the second invariant of the velocity gradient tensor [1/s...
static void readFields(Cloud< molecule > &mC)
An auto-pointer similar to the STL auto_ptr but with automatic casting to a reference to the type and...
const vector & specialPosition() const
scalar potentialEnergy() const