Classes | |
class | constantProperties |
Class to hold molecule constant properties. More... | |
class | iNew |
Factory class to read-construct particles used for. More... | |
class | trackingData |
Class used to pass tracking data to the trackToFace function. More... | |
Public Types | |
enum | specialTypes { SPECIAL_TETHERED = -1, SPECIAL_FROZEN = -2, NOT_SPECIAL = 0, SPECIAL_USER = 1 } |
Public Member Functions | |
molecule (const polyMesh &mesh, const barycentric &coordinates, 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. More... | |
molecule (const polyMesh &mesh, const vector &position, const label celli, 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 a position and a cell, searching for the rest of the. More... | |
molecule (const polyMesh &mesh, Istream &is, bool readFields=true, bool newFormat=true) | |
Construct from Istream. More... | |
autoPtr< particle > | clone () const |
Construct and return a clone. More... | |
bool | move (moleculeCloud &, trackingData &, const scalar trackTime) |
virtual void | transformProperties (const tensor &T) |
Transform the physical properties of the particle. More... | |
virtual void | transformProperties (const vector &separation) |
Transform the physical properties of the particle. More... | |
void | setSitePositions (const constantProperties &constProps) |
void | setSiteSizes (label size) |
const tensor & | Q () const |
tensor & | Q () |
const vector & | v () const |
vector & | v () |
const vector & | a () const |
vector & | a () |
const vector & | pi () const |
vector & | pi () |
const vector & | tau () const |
vector & | tau () |
const List< vector > & | siteForces () const |
List< vector > & | siteForces () |
const List< vector > & | sitePositions () const |
List< vector > & | sitePositions () |
const vector & | specialPosition () const |
vector & | specialPosition () |
scalar | potentialEnergy () const |
scalar & | potentialEnergy () |
const tensor & | rf () const |
tensor & | rf () |
label | special () const |
bool | tethered () const |
label | id () const |
bool | hitPatch (moleculeCloud &cloud, trackingData &td) |
Overridable function to handle the particle hitting a patch. More... | |
void | hitProcessorPatch (moleculeCloud &cloud, trackingData &td) |
Overridable function to handle the particle hitting a processorPatch. More... | |
void | hitWallPatch (moleculeCloud &cloud, trackingData &td) |
Overridable function to handle the particle hitting a wallPatch. More... | |
Public Member Functions inherited from particle< Type > | |
TypeName ("particle") | |
Runtime type information. More... | |
particle (const polyMesh &mesh, const barycentric &coordinates, const label celli, const label tetFacei, const label tetPti) | |
Construct from components. More... | |
particle (const polyMesh &mesh, const vector &position, const label celli=-1) | |
Construct from a position and a cell. More... | |
particle (const polyMesh &mesh, const vector &position, const label celli, const label tetFacei, const label tetPti, const bool doLocate=true) | |
Construct from position components. More... | |
particle (const polyMesh &mesh, Istream &, const bool readFields=true, const bool newFormat=true, const bool doLocate=true) | |
Construct from Istream. More... | |
particle (const particle &p) | |
Construct as a copy. More... | |
particle (const particle &p, const polyMesh &mesh) | |
Construct as a copy with reference to a new mesh. More... | |
virtual | ~particle ()=default |
Destructor. More... | |
label | getNewParticleID () const |
Get unique particle creation id. More... | |
const polyMesh & | mesh () const noexcept |
Return the mesh database. More... | |
const barycentric & | coordinates () const noexcept |
Return current particle coordinates. More... | |
label | cell () const noexcept |
Return current cell particle is in. More... | |
label & | cell () noexcept |
Return current cell particle is in for manipulation. More... | |
label | tetFace () const noexcept |
Return current tet face particle is in. More... | |
label & | tetFace () noexcept |
Return current tet face particle is in for manipulation. More... | |
label | tetPt () const noexcept |
Return current tet face particle is in. More... | |
label & | tetPt () noexcept |
Return current tet face particle is in for manipulation. More... | |
label | face () const noexcept |
Return current face particle is on otherwise -1. More... | |
label & | face () noexcept |
Return current face particle is on for manipulation. More... | |
scalar | stepFraction () const noexcept |
Return the fraction of time-step completed. More... | |
scalar & | stepFraction () noexcept |
Return the fraction of time-step completed. More... | |
label | origProc () const noexcept |
Return the originating processor ID. More... | |
label & | origProc () noexcept |
Return the originating processor ID. More... | |
label | origId () const noexcept |
Return the particle ID on the originating processor. More... | |
label & | origId () noexcept |
Return the particle ID on the originating processor. More... | |
Pair< scalar > | stepFractionSpan () const |
Return the step fraction change within the overall time-step. More... | |
scalar | currentTimeFraction () const |
Return the current fraction within the timestep. This differs. More... | |
tetIndices | currentTetIndices () const noexcept |
Return indices of the current tet that the particle occupies. More... | |
barycentricTensor | currentTetTransform () const |
Return the current tet transformation tensor. More... | |
vector | normal () const |
The (unit) normal of the tri on tetFacei_ for the current tet. More... | |
bool | onFace () const noexcept |
Is the particle on a face? More... | |
bool | onInternalFace () const noexcept |
Is the particle on an internal face? More... | |
bool | onBoundaryFace () const noexcept |
Is the particle on a boundary face? More... | |
label | patch () const |
Return the index of patch that the particle is on. More... | |
vector | position () const |
Return current particle position. More... | |
void | reset () |
Reset particle data. More... | |
scalar | track (const vector &displacement, const scalar fraction) |
Track along the displacement for a given fraction of the overall. More... | |
scalar | trackToFace (const vector &displacement, const scalar fraction) |
As particle::track, but also stops on internal faces. More... | |
scalar | trackToTri (const vector &displacement, const scalar fraction, label &tetTriI) |
As particle::trackToFace, but also stops on tet triangles. On. More... | |
scalar | trackToStationaryTri (const vector &displacement, const scalar fraction, label &tetTriI) |
As particle::trackToTri, but for stationary meshes. More... | |
scalar | trackToMovingTri (const vector &displacement, const scalar fraction, label &tetTriI) |
As particle::trackToTri, but for moving meshes. More... | |
template<class TrackCloudType > | |
void | hitFace (const vector &direction, TrackCloudType &cloud, trackingData &td) |
Hit the current face. If the current face is internal than this. More... | |
template<class TrackCloudType > | |
void | trackToAndHitFace (const vector &direction, const scalar fraction, TrackCloudType &cloud, trackingData &td) |
Convenience function. Combines trackToFace and hitFace. More... | |
vector | deviationFromMeshCentre () const |
Get the displacement from the mesh centre. Used to correct the. More... | |
void | patchData (vector &n, vector &U) const |
Get the normal and velocity of the current patch location. More... | |
void | prepareForParallelTransfer () |
Convert global addressing to the processor patch local equivalents. More... | |
void | correctAfterParallelTransfer (const label patchi, trackingData &td) |
Convert processor patch addressing to the global equivalents. More... | |
void | prepareForInteractionListReferral (const vectorTensorTransform &transform) |
Break the topology and store the particle position so that the. More... | |
void | correctAfterInteractionListReferral (const label celli) |
Correct the topology after referral. The particle may still be. More... | |
label | procTetPt (const polyMesh &procMesh, const label procCell, const label procTetFace) const |
Return the tet point appropriate for decomposition or reconstruction. More... | |
void | autoMap (const vector &position, const mapPolyMesh &mapper) |
Map after a topology change. More... | |
void | relocate (const point &position, const label celli=-1) |
Set the addressing based on the provided position. More... | |
void | writeProperties (Ostream &os, const wordRes &filters, const word &delim, const bool namesOnly) const |
Write individual particle properties to stream. More... | |
void | writeCoordinates (Ostream &os) const |
Write the particle barycentric coordinates and cell info. More... | |
virtual void | writePosition (Ostream &os) const |
Write the particle position and cell id. More... | |
Static Public Member Functions | |
static void | readFields (Cloud< molecule > &mC) |
static void | writeFields (const Cloud< molecule > &mC) |
Static Public Member Functions inherited from particle< Type > | |
static string | propertyList () |
template<class Type > | |
static void | writePropertyName (Ostream &os, const word &name, const word &delim) |
Write the name representation to stream. More... | |
template<class Type > | |
static void | writeProperty (Ostream &os, const word &name, const Type &value, const bool nameOnly, const word &delim, const wordRes &filters=wordRes::null()) |
Write a named particle property to stream, optionally filtered based on its name. More... | |
template<class Type > | |
static void | writeProperty (Ostream &os, const word &name, const Field< Type > &values, const bool nameOnly, const word &delim, const wordRes &filters=wordRes::null()) |
Write a named particle property list to stream, optionally filtered based on its name. More... | |
template<class TrackCloudType > | |
static void | readFields (TrackCloudType &c) |
Read the fields associated with the owner cloud. More... | |
template<class TrackCloudType > | |
static void | writeFields (const TrackCloudType &c) |
Write the fields associated with the owner cloud. More... | |
template<class CloudType > | |
static void | readObjects (CloudType &c, const objectRegistry &obr) |
Read particle fields as objects from the obr registry. More... | |
template<class CloudType > | |
static void | writeObjects (const CloudType &c, objectRegistry &obr) |
Write particle fields as objects into the obr registry. More... | |
Static Public Attributes | |
static const std::size_t | sizeofFields |
Size in bytes of the fields. More... | |
Static Public Attributes inherited from particle< Type > | |
static string | propertyList_ = Foam::particle::propertyList() |
String representation of properties. More... | |
static label | particleCount_ = 0 |
Cumulative particle counter - used to provide unique ID. More... | |
static bool | writeLagrangianCoordinates = true |
Write particle coordinates file (v1712 and later) Default is true. More... | |
static bool | writeLagrangianPositions |
Write particle positions file (v1706 format and earlier) Default is true (disable in etc/controlDict) More... | |
Friends | |
class | Cloud< molecule > |
Ostream & | operator<< (Ostream &, const molecule &) |
Additional Inherited Members | |
Protected Member Functions inherited from particle< Type > | |
void | readData (Istream &is, point &position, const bool readFields, const bool newFormat, const bool doLocate) |
Read particle from stream. Optionally (for old format) return. More... | |
template<class TrackCloudType > | |
bool | hitPatch (TrackCloudType &, trackingData &) |
Overridable function to handle the particle hitting a patch. More... | |
template<class TrackCloudType > | |
void | hitWedgePatch (TrackCloudType &, trackingData &) |
Overridable function to handle the particle hitting a wedgePatch. More... | |
template<class TrackCloudType > | |
void | hitSymmetryPlanePatch (TrackCloudType &, trackingData &) |
Overridable function to handle the particle hitting a. More... | |
template<class TrackCloudType > | |
void | hitSymmetryPatch (TrackCloudType &, trackingData &) |
Overridable function to handle the particle hitting a symmetryPatch. More... | |
template<class TrackCloudType > | |
void | hitCyclicPatch (TrackCloudType &, trackingData &) |
Overridable function to handle the particle hitting a cyclicPatch. More... | |
template<class TrackCloudType > | |
void | hitCyclicAMIPatch (TrackCloudType &, trackingData &, const vector &) |
Overridable function to handle the particle hitting a cyclicAMIPatch. More... | |
template<class TrackCloudType > | |
void | hitCyclicACMIPatch (TrackCloudType &, trackingData &, const vector &) |
Overridable function to handle the particle hitting a. More... | |
template<class TrackCloudType > | |
void | hitProcessorPatch (TrackCloudType &, trackingData &) |
Overridable function to handle the particle hitting a processorPatch. More... | |
template<class TrackCloudType > | |
void | hitWallPatch (TrackCloudType &, trackingData &) |
Overridable function to handle the particle hitting a wallPatch. More... | |
template<class TrackCloudType > | |
void | hitBoundaryFace (const vector &direction, TrackCloudType &cloud, trackingData &td) |
Dispatch function for boundary face interaction. Calls one of. More... | |
Definition at line 63 of file molecule.H.
enum specialTypes |
Enumerator | |
---|---|
SPECIAL_TETHERED | |
SPECIAL_FROZEN | |
NOT_SPECIAL | |
SPECIAL_USER |
Definition at line 79 of file molecule.H.
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inline |
Construct from components.
Definition at line 219 of file moleculeI.H.
References molecule::setSitePositions().
Referenced by molecule::clone().
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inline |
Construct from a position and a cell, searching for the rest of the.
required topology
Definition at line 256 of file moleculeI.H.
References molecule::setSitePositions().
Construct from Istream.
Definition at line 37 of file moleculeIO.C.
References Istream::beginRawRead(), IOstream::check(), IOstream::checkLabelSize(), IOstream::checkScalarSize(), Istream::endRawRead(), IOstreamOption::format(), FUNCTION_NAME, Istream::read(), Foam::readFields(), and Foam::readRawLabel().
Construct and return a clone.
Reimplemented from particle< Type >.
Definition at line 299 of file molecule.H.
References molecule::molecule().
bool move | ( | moleculeCloud & | cloud, |
trackingData & | td, | ||
const scalar | trackTime | ||
) |
Definition at line 64 of file molecule.C.
References Foam::abort(), f(), Foam::FatalError, FatalErrorInFunction, forAll, particle< Type >::trackingData::keepParticle, molecule::trackingData::part(), R, s, particle< Type >::trackingData::switchProcessor, and Foam::Zero.
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virtual |
Transform the physical properties of the particle.
according to the given transformation tensor
Reimplemented from particle< Type >.
Definition at line 184 of file molecule.C.
References Foam::T(), Foam::transform(), and particle< Type >::transformProperties().
|
virtual |
Transform the physical properties of the particle.
according to the given separation vector
Reimplemented from particle< Type >.
Definition at line 206 of file molecule.C.
References particle< Type >::transformProperties().
void setSitePositions | ( | const constantProperties & | constProps | ) |
Definition at line 219 of file molecule.C.
References molecule::constantProperties::siteReferencePositions().
Referenced by molecule::molecule().
void setSiteSizes | ( | label | size | ) |
Definition at line 225 of file molecule.C.
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inline |
Definition at line 502 of file moleculeI.H.
Referenced by molecule::constantProperties::constantProperties(), and molecule::readFields().
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inline |
Definition at line 508 of file moleculeI.H.
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inline |
Definition at line 514 of file moleculeI.H.
Referenced by moleculeCloud::applyConstraintsAndThermostats(), and molecule::readFields().
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inline |
Definition at line 520 of file moleculeI.H.
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inline |
Definition at line 526 of file moleculeI.H.
Referenced by molecule::readFields().
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inline |
Definition at line 532 of file moleculeI.H.
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inline |
Definition at line 538 of file moleculeI.H.
Referenced by moleculeCloud::applyConstraintsAndThermostats(), and molecule::readFields().
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inline |
Definition at line 544 of file moleculeI.H.
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inline |
Definition at line 550 of file moleculeI.H.
Referenced by molecule::readFields().
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inline |
Definition at line 556 of file moleculeI.H.
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inline |
Definition at line 562 of file moleculeI.H.
Referenced by moleculeCloud::calculateForce().
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inline |
Definition at line 568 of file moleculeI.H.
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inline |
Definition at line 574 of file moleculeI.H.
Referenced by moleculeCloud::writeXYZ().
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inline |
Definition at line 580 of file moleculeI.H.
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inline |
Definition at line 586 of file moleculeI.H.
Referenced by molecule::readFields().
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inline |
Definition at line 592 of file moleculeI.H.
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inline |
Definition at line 598 of file moleculeI.H.
Referenced by moleculeCloud::calculateForce().
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inline |
Definition at line 604 of file moleculeI.H.
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inline |
Definition at line 610 of file moleculeI.H.
Referenced by moleculeCloud::calculateForce().
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inline |
Definition at line 616 of file moleculeI.H.
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inline |
Definition at line 622 of file moleculeI.H.
Referenced by molecule::readFields().
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inline |
Definition at line 628 of file moleculeI.H.
References molecule::SPECIAL_TETHERED.
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inline |
Definition at line 634 of file moleculeI.H.
Referenced by molecule::readFields(), and moleculeCloud::writeXYZ().
bool hitPatch | ( | moleculeCloud & | cloud, |
trackingData & | td | ||
) |
Overridable function to handle the particle hitting a patch.
Executed before other patch-hitting functions
Definition at line 233 of file molecule.C.
void hitProcessorPatch | ( | moleculeCloud & | cloud, |
trackingData & | td | ||
) |
Overridable function to handle the particle hitting a processorPatch.
Definition at line 239 of file molecule.C.
References particle< Type >::trackingData::switchProcessor.
void hitWallPatch | ( | moleculeCloud & | cloud, |
trackingData & | td | ||
) |
Overridable function to handle the particle hitting a wallPatch.
Definition at line 245 of file molecule.C.
Definition at line 104 of file moleculeIO.C.
References molecule::a(), Cloud< ParticleType >::checkFieldIOobject(), Cloud< ParticleType >::fieldIOobject(), molecule::id(), IOobjectOption::MUST_READ, molecule::pi(), molecule::Q(), particle< Type >::readFields(), HashTable< T, Key, Hash >::size(), molecule::special(), molecule::specialPosition(), molecule::tau(), and molecule::v().
Referenced by moleculeCloud::moleculeCloud().
Definition at line 163 of file moleculeIO.C.
References Foam::endl(), Cloud< ParticleType >::fieldIOobject(), Foam::Info, moleculeCloud::mesh(), IOobjectOption::NO_READ, Foam::constant::mathematical::pi(), cloud::prefix, HashTable< T, Key, Hash >::size(), objectRegistry::time(), Time::timePath(), regIOobject::write(), particle< Type >::writeFields(), and moleculeCloud::writeXYZ().
Definition at line 239 of file molecule.H.
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static |
Size in bytes of the fields.
Definition at line 72 of file molecule.H.
Referenced by Foam::operator<<().
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