58 Ostream&
operator<<(Ostream&,
const molecule&);
72 static const std::size_t sizeofFields_;
113 void checkSiteListSizes()
const;
115 void setInteracionSiteBools
121 bool linearMoleculeTest()
const;
159 inline scalar
mass()
const;
186 inline label part()
const 209 scalar potentialEnergy_;
225 tensor rotationTensorX(scalar deltaT)
const;
227 tensor rotationTensorY(scalar deltaT)
const;
229 tensor rotationTensorZ(scalar deltaT)
const;
244 const label tetFacei,
308 inline const tensor&
Q()
const;
311 inline const vector&
v()
const;
314 inline const vector&
a()
const;
354 const scalar trackFraction,
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.
intWM_LABEL_SIZE_t label
A label is an int32_t or int64_t as specified by the pre-processor macro WM_LABEL_SIZE.
void hitProcessorPatch(const processorPolyPatch &, trackingData &td)
Overridable function to handle the particle hitting a processorPatch.
label degreesOfFreedom() const
Class to hold molecule constant properties.
void setSitePositions(const constantProperties &constProps)
bool pointMolecule() const
A list of keyword definitions, which are a keyword followed by any number of values (e...
const List< bool > & pairPotentialSites() const
const List< vector > & siteForces() const
const tensor & rf() const
An Istream is an abstract base class for all input systems (streams, files, token lists etc)...
const List< scalar > & siteCharges() const
static void writeFields(const Cloud< molecule > &mC)
const List< label > & siteIds() const
static void readFields(Cloud< molecule > &mC)
Neighbour processor patch.
autoPtr< particle > clone() const
Construct and return a clone.
const vector & position() const
Return current particle position.
friend Ostream & operator<<(Ostream &, const molecule &)
const diagTensor & momentOfInertia() const
const Field< vector > & siteReferencePositions() const
void hitWallPatch(const wallPolyPatch &, trackingData &td, const tetIndices &)
Overridable function to handle the particle hitting a wallPatch.
A cloud is a collection of lagrangian particles.
const vector & tau() const
bool move(trackingData &, const scalar trackTime)
const polyMesh & mesh_
Reference to the polyMesh database.
Storage and named access for the indices of a tet which is part of the decomposition of a cell...
virtual void transformProperties(const tensor &T)
Transform the physical properties of the particle.
Base cloud calls templated on particle type.
An Ostream is an abstract base class for all output systems (streams, files, token lists...
Factory class to read-construct particles used for.
void T(FieldField< Field, Type > &f1, const FieldField< Field, Type > &f2)
bool hitPatch(const polyPatch &, trackingData &td, const label patchi, const scalar trackFraction, const tetIndices &tetIs)
Overridable function to handle the particle hitting a patch.
scalar potentialEnergy() const
const vector & specialPosition() const
const vector & pi() const
bool pairPotentialSite(label sId) const
Class used to pass tracking data to the trackToFace function.
void setSiteSizes(label size)
Ostream & operator<<(Ostream &, const ensightPart &)
const List< bool > & electrostaticSites() const
const polyMesh & mesh() const
Return the mesh database.
An auto-pointer similar to the STL auto_ptr but with automatic casting to a reference to the type and...
Mesh consisting of general polyhedral cells.
A patch is a list of labels that address the faces in the global face list.
bool linearMolecule() const
const List< vector > & sitePositions() const
bool electrostaticSite(label sId) const
const List< scalar > & siteMasses() const