115 void checkSiteListSizes()
const;
117 void setInteracionSiteBools
123 bool linearMoleculeTest()
const;
161 inline scalar
mass()
const;
163 inline label
nSites()
const;
188 inline label
part()
const
211 scalar potentialEnergy_;
227 tensor rotationTensorX(scalar deltaT)
const;
229 tensor rotationTensorY(scalar deltaT)
const;
231 tensor rotationTensorZ(scalar deltaT)
const;
246 const label tetFacei,
283 bool newFormat =
true
329 inline const tensor&
Q()
const;
332 inline const vector&
v()
const;
335 inline const vector&
a()
const;
363 inline label
id()
const;
Base cloud calls templated on particle type.
Generic templated field type.
An Istream is an abstract base class for all input systems (streams, files, token lists etc)....
A 1D array of objects of type <T>, where the size of the vector is known and used for subscript bound...
An Ostream is an abstract base class for all output systems (streams, files, token lists,...
static autoPtr< Time > New()
Construct (dummy) Time - no functionObjects or libraries.
Pointer management similar to std::unique_ptr, with some additional methods and type checking.
A cloud is a registry collection of lagrangian particles.
A list of keyword definitions, which are a keyword followed by a number of values (eg,...
Class to hold molecule constant properties.
const diagTensor & momentOfInertia() const
bool pointMolecule() const
const Field< vector > & siteReferencePositions() const
const List< label > & siteIds() const
const List< bool > & pairPotentialSites() const
const List< scalar > & siteCharges() const
bool pairPotentialSite(label sId) const
bool electrostaticSite(label sId) const
label degreesOfFreedom() const
const List< scalar > & siteMasses() const
const List< bool > & electrostaticSites() const
bool linearMolecule() const
Factory class to read-construct particles used for.
iNew(const polyMesh &mesh)
autoPtr< molecule > operator()(Istream &is) const
Class used to pass tracking data to the trackToFace function.
trackingData(moleculeCloud &cloud, label part)
virtual void transformProperties(const tensor &T)
Transform the physical properties of the particle.
bool move(moleculeCloud &, trackingData &, const scalar trackTime)
void setSiteSizes(label size)
const List< vector > & sitePositions() const
autoPtr< particle > clone() const
Construct and return a clone.
const List< vector > & siteForces() const
const vector & specialPosition() const
void setSitePositions(const constantProperties &constProps)
const tensor & rf() const
static const std::size_t sizeofFields
Size in bytes of the fields.
const vector & tau() const
scalar potentialEnergy() const
friend Ostream & operator<<(Ostream &, const molecule &)
static void writeFields(const Cloud< molecule > &mC)
const vector & pi() const
static void readFields(Cloud< molecule > &mC)
bool hitPatch(moleculeCloud &cloud, trackingData &td)
Overridable function to handle the particle hitting a patch.
void hitWallPatch(moleculeCloud &cloud, trackingData &td)
Overridable function to handle the particle hitting a wallPatch.
void hitProcessorPatch(moleculeCloud &cloud, trackingData &td)
Overridable function to handle the particle hitting a processorPatch.
vector position() const
Return current particle position.
const polyMesh & mesh() const noexcept
Return the mesh database.
const barycentric & coordinates() const noexcept
Return current particle coordinates.
Mesh consisting of general polyhedral cells.
Ostream & operator<<(Ostream &, const boundaryPatch &p)
Write boundaryPatch as dictionary entries (without surrounding braces)