PSCF v1.1
Public Member Functions | Protected Member Functions | Protected Attributes | List of all members
Pscf::Fd1d::Sweep Class Reference

Solve a sequence of problems along a line in parameter space. More...

#include <Sweep.h>

Inheritance diagram for Pscf::Fd1d::Sweep:
Pscf::SweepTmpl< DArray< System::WField > > Pscf::Fd1d::SystemAccess Util::ParamComposite Util::ParamComponent Util::Serializable Util::MpiFileIo Pscf::Fd1d::LinearSweep

Public Member Functions

 Sweep (System &system)
 Constructor. More...
 
 ~Sweep ()
 Destructor. More...
 
virtual void readParameters (std::istream &in)
 Read ns and baseFileName parameters. More...
 
virtual void outputSolution (std::string const &stateFileName)
 Output information after obtaining a converged solution. More...
 
virtual void outputSummary (std::ostream &outFile)
 Output data to a running summary. More...
 
- Public Member Functions inherited from Pscf::SweepTmpl< DArray< System::WField > >
 ~SweepTmpl ()
 Destructor. More...
 
virtual void readParameters (std::istream &in)
 Read ns and baseFileName parameters. More...
 
virtual void sweep ()
 Iterate to solution. More...
 
- Public Member Functions inherited from Util::ParamComposite
 ParamComposite ()
 Constructor. More...
 
 ParamComposite (const ParamComposite &other)
 Copy constructor. More...
 
 ParamComposite (int capacity)
 Constructor. More...
 
virtual ~ParamComposite ()
 Virtual destructor. More...
 
void resetParam ()
 Resets ParamComposite to its empty state. More...
 
virtual void readParam (std::istream &in)
 Read the parameter file block. More...
 
virtual void readParamOptional (std::istream &in)
 Read optional parameter file block. More...
 
virtual void writeParam (std::ostream &out) const
 Write all parameters to an output stream. More...
 
virtual void load (Serializable::IArchive &ar)
 Load all parameters from an input archive. More...
 
virtual void loadOptional (Serializable::IArchive &ar)
 Load an optional ParamComposite. More...
 
virtual void loadParameters (Serializable::IArchive &ar)
 Load state from archive, without adding Begin and End lines. More...
 
virtual void save (Serializable::OArchive &ar)
 Saves all parameters to an archive. More...
 
void saveOptional (Serializable::OArchive &ar)
 Saves isActive flag, and then calls save() iff isActive is true. More...
 
void readParamComposite (std::istream &in, ParamComposite &child, bool next=true)
 Add and read a required child ParamComposite. More...
 
void readParamCompositeOptional (std::istream &in, ParamComposite &child, bool next=true)
 Add and attempt to read an optional child ParamComposite. More...
 
template<typename Type >
ScalarParam< Type > & read (std::istream &in, const char *label, Type &value)
 Add and read a new required ScalarParam < Type > object. More...
 
template<typename Type >
ScalarParam< Type > & readOptional (std::istream &in, const char *label, Type &value)
 Add and read a new optional ScalarParam < Type > object. More...
 
template<typename Type >
CArrayParam< Type > & readCArray (std::istream &in, const char *label, Type *value, int n)
 Add and read a required C array parameter. More...
 
template<typename Type >
CArrayParam< Type > & readOptionalCArray (std::istream &in, const char *label, Type *value, int n)
 Add and read an optional C array parameter. More...
 
template<typename Type >
DArrayParam< Type > & readDArray (std::istream &in, const char *label, DArray< Type > &array, int n)
 Add and read a required DArray < Type > parameter. More...
 
template<typename Type >
DArrayParam< Type > & readOptionalDArray (std::istream &in, const char *label, DArray< Type > &array, int n)
 Add and read an optional DArray < Type > parameter. More...
 
template<typename Type , int N>
FArrayParam< Type, N > & readFArray (std::istream &in, const char *label, FArray< Type, N > &array)
 Add and read a required FArray < Type, N > array parameter. More...
 
template<typename Type , int N>
FArrayParam< Type, N > & readOptionalFArray (std::istream &in, const char *label, FArray< Type, N > &array)
 Add and read an optional FArray < Type, N > array parameter. More...
 
template<typename Type , int N>
FSArrayParam< Type, N > & readFSArray (std::istream &in, const char *label, FSArray< Type, N > &array, int size)
 Add and read a required FSArray < Type, N > array parameter. More...
 
template<typename Type , int N>
FSArrayParam< Type, N > & readOptionalFSArray (std::istream &in, const char *label, FSArray< Type, N > &array, int size)
 Add and read an optional FSArray < Type, N > array parameter. More...
 
template<typename Type >
CArray2DParam< Type > & readCArray2D (std::istream &in, const char *label, Type *value, int m, int n, int np)
 Add and read a required CArray2DParam < Type > 2D C-array. More...
 
template<typename Type >
CArray2DParam< Type > & readOptionalCArray2D (std::istream &in, const char *label, Type *value, int m, int n, int np)
 Add and read an optional CArray2DParam < Type > 2D C-array parameter. More...
 
template<typename Type >
DMatrixParam< Type > & readDMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int m, int n)
 Add and read a required DMatrix < Type > matrix parameter. More...
 
template<typename Type >
DMatrixParam< Type > & readOptionalDMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int m, int n)
 Add and read an optional DMatrix < Type > matrix parameter. More...
 
template<typename Type >
DSymmMatrixParam< Type > & readDSymmMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int n)
 Add and read a required symmetrix DMatrix. More...
 
template<typename Type >
DSymmMatrixParam< Type > & readOptionalDSymmMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int n)
 Add and read an optional DMatrix matrix parameter. More...
 
BeginreadBegin (std::istream &in, const char *label, bool isRequired=true)
 Add and read a class label and opening bracket. More...
 
EndreadEnd (std::istream &in)
 Add and read the closing bracket. More...
 
BlankreadBlank (std::istream &in)
 Add and read a new Blank object, representing a blank line. More...
 
void loadParamComposite (Serializable::IArchive &ar, ParamComposite &child, bool next=true)
 Add and load a required child ParamComposite. More...
 
void loadParamCompositeOptional (Serializable::IArchive &ar, ParamComposite &child, bool next=true)
 Add and load an optional child ParamComposite if isActive. More...
 
template<typename Type >
ScalarParam< Type > & loadParameter (Serializable::IArchive &ar, const char *label, Type &value, bool isRequired)
 Add and load a new ScalarParam < Type > object. More...
 
template<typename Type >
ScalarParam< Type > & loadParameter (Serializable::IArchive &ar, const char *label, Type &value)
 Add and load new required ScalarParam < Type > object. More...
 
template<typename Type >
CArrayParam< Type > & loadCArray (Serializable::IArchive &ar, const char *label, Type *value, int n, bool isRequired)
 Add a C array parameter and load its elements. More...
 
template<typename Type >
CArrayParam< Type > & loadCArray (Serializable::IArchive &ar, const char *label, Type *value, int n)
 Add and load a required CArrayParam< Type > array parameter. More...
 
template<typename Type >
DArrayParam< Type > & loadDArray (Serializable::IArchive &ar, const char *label, DArray< Type > &array, int n, bool isRequired)
 Add an load a DArray < Type > array parameter. More...
 
template<typename Type >
DArrayParam< Type > & loadDArray (Serializable::IArchive &ar, const char *label, DArray< Type > &array, int n)
 Add and load a required DArray< Type > array parameter. More...
 
template<typename Type , int N>
FArrayParam< Type, N > & loadFArray (Serializable::IArchive &ar, const char *label, FArray< Type, N > &array, bool isRequired)
 Add and load an FArray < Type, N > fixed-size array parameter. More...
 
template<typename Type , int N>
FArrayParam< Type, N > & loadFArray (Serializable::IArchive &ar, const char *label, FArray< Type, N > &array)
 Add and load a required FArray < Type > array parameter. More...
 
template<typename Type , int N>
FSArrayParam< Type, N > & loadFSArray (Serializable::IArchive &ar, const char *label, FSArray< Type, N > &array, int size, bool isRequired)
 Add and load an FSArray < Type, N > array parameter. More...
 
template<typename Type , int N>
FSArrayParam< Type, N > & loadFSArray (Serializable::IArchive &ar, const char *label, FSArray< Type, N > &array, int size)
 Add and load a required FSArray < Type > array parameter. More...
 
template<typename Type >
CArray2DParam< Type > & loadCArray2D (Serializable::IArchive &ar, const char *label, Type *value, int m, int n, int np, bool isRequired)
 Add and load a CArray2DParam < Type > C 2D array parameter. More...
 
template<typename Type >
CArray2DParam< Type > & loadCArray2D (Serializable::IArchive &ar, const char *label, Type *value, int m, int n, int np)
 Add and load a required < Type > matrix parameter. More...
 
template<typename Type >
DMatrixParam< Type > & loadDMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int m, int n, bool isRequired)
 Add and load a DMatrixParam < Type > matrix parameter. More...
 
template<typename Type >
DMatrixParam< Type > & loadDMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int m, int n)
 Add and load a required DMatrixParam < Type > matrix parameter. More...
 
template<typename Type >
DSymmMatrixParam< Type > & loadDSymmMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int n, bool isRequired)
 Add and load a symmetric DSymmMatrixParam < Type > matrix parameter. More...
 
template<typename Type >
DSymmMatrixParam< Type > & loadDSymmMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int n)
 Add and load a required DSymmMatrixParam < Type > matrix parameter. More...
 
void addParamComposite (ParamComposite &child, bool next=true)
 Add a child ParamComposite object to the format array. More...
 
BeginaddBegin (const char *label)
 Add a Begin object representing a class name and bracket. More...
 
EndaddEnd ()
 Add a closing bracket. More...
 
BlankaddBlank ()
 Create and add a new Blank object, representing a blank line. More...
 
std::string className () const
 Get class name string. More...
 
bool isRequired () const
 Is this ParamComposite required in the input file? More...
 
bool isActive () const
 Is this parameter active? More...
 
- Public Member Functions inherited from Util::ParamComponent
virtual ~ParamComponent ()
 Destructor. More...
 
virtual void readParam (std::istream &in)=0
 Read parameter(s) from file. More...
 
virtual void writeParam (std::ostream &out) const =0
 Read parameter(s) to file. More...
 
virtual void load (Serializable::IArchive &ar)
 Load internal state from an archive. More...
 
virtual void save (Serializable::OArchive &ar)
 Save internal state to an archive. More...
 
virtual void resetParam ()
 Nontrivial implementation provided by ParamComposite subclass. More...
 
void setIndent (const ParamComponent &parent, bool next=true)
 Set indent level. More...
 
std::string indent () const
 Return indent string for this object (string of spaces). More...
 
template<class Archive >
void serialize (Archive &ar, const unsigned int version)
 Serialize this ParamComponent as a string. More...
 
- Public Member Functions inherited from Util::Serializable
virtual ~Serializable ()
 Destructor. More...
 
virtual void save (OArchive &ar)=0
 Save to an archive. More...
 
virtual void load (IArchive &ar)=0
 Load from an archive. More...
 
- Public Member Functions inherited from Util::MpiFileIo
 MpiFileIo ()
 Constructor. More...
 
 MpiFileIo (const MpiFileIo &other)
 Copy constructor. More...
 
bool isIoProcessor () const
 Can this processor do file I/O ? More...
 
void setIoCommunicator (MPI::Intracomm &communicator)
 Set the communicator. More...
 
void clearCommunicator ()
 Clear (nullify) the communicator. More...
 
bool hasIoCommunicator () const
 Does this object have an associated MPI communicator? More...
 
MPI::Intracomm & ioCommunicator () const
 Get the MPI communicator by reference. More...
 
- Public Member Functions inherited from Pscf::Fd1d::SystemAccess
 SystemAccess ()
 Default constructor. More...
 
 SystemAccess (System &system)
 Constructor. More...
 
 ~SystemAccess ()
 Destructor. More...
 
virtual void setSystem (System &system)
 Set the system after construction. More...
 
const Systemsystem () const
 Get parent System by reference. More...
 
Systemsystem ()
 Get parent System by reference. More...
 
const Mixturemixture () const
 Get Mixture by reference. More...
 
Mixturemixture ()
 Get Mixture by reference. More...
 
const Domaindomain () const
 Get spatial domain (including grid info) by reference. More...
 
Domaindomain ()
 Get spatial domain (including grid info) by reference. More...
 
const Interactioninteraction () const
 Get interaction (i.e., excess free energy model) by reference. More...
 
Interactioninteraction ()
 Get interaction (i.e., excess free energy model) by reference. More...
 
const Homogeneous::Mixturehomogeneous () const
 Get homogeneous mixture (for reference calculations). More...
 
Homogeneous::Mixturehomogeneous ()
 Get homogeneous mixture (for reference calculations). More...
 
FileMasterfileMaster ()
 Get FileMaster by reference. More...
 
DArray< System::WField > & wFields ()
 Get array of all chemical potential fields. More...
 
System::WFieldwField (int monomerId)
 Get chemical potential field for a specific monomer type. More...
 
DArray< System::CField > & cFields ()
 Get array of all chemical potential fields. More...
 
System::CFieldcField (int monomerId)
 Get chemical potential field for a specific monomer type. More...
 

Protected Member Functions

virtual void checkAllocation (State &state)
 Check allocation of w fields in one state, allocate if needed. More...
 
virtual void setup ()
 Setup operation at beginning sweep. More...
 
virtual void setParameters (double s)
 Set non-adjustable system parameters to new values. More...
 
virtual void extrapolate (double s)
 Create initial guess for new w fields by polynomial extrapolation. More...
 
virtual int solve (bool isContinuation)
 Call the current iterator to solve one SCFT problem. More...
 
virtual void reset ()
 Reset system to previous solution after iterature failure. More...
 
virtual void getSolution ()
 Update state(0) and output data after successful convergence. More...
 
virtual void cleanup ()
 Close log file after end of sweep. More...
 
- Protected Member Functions inherited from Pscf::SweepTmpl< DArray< System::WField > >
 SweepTmpl (int historyCapacity)
 Constructor (protected). More...
 
DArray< System::WField > & state (int i)
 Get reference to a stored state, with i=0 being most recent. More...
 
double s (int i) const
 Get the value of s for a stored solution, with i = 0 most recent. More...
 
double c (int i) const
 Get a coefficient of a previous state in a continuation. More...
 
int historySize () const
 Get the current number of stored previous states. More...
 
int historyCapacity () const
 Get the maximum number of stored previous states. More...
 
int nAccept () const
 Get the number of converged solutions accepted thus far. More...
 
void initialize ()
 Initialize variables that track history of solutions. More...
 
virtual void checkAllocation (DArray< System::WField > &state)=0
 Check allocation of one state, allocate if necessary. More...
 
virtual void setup ()=0
 Setup operation at the beginning of a sweep. More...
 
virtual void setParameters (double sNew)=0
 Set non-adjustable system parameters to new values. More...
 
virtual void extrapolate (double sNew)=0
 Create initial guess for the next state by extrapolation. More...
 
void setCoefficients (double sNew)
 Compute coefficients of previous states for continuation. More...
 
virtual int solve (bool isContinuation)=0
 Call current iterator to solve SCFT problem. More...
 
virtual void reset ()=0
 Reset system to previous solution after iterature failure. More...
 
virtual void getSolution ()=0
 Update state(0) and output data after successful solution. More...
 
virtual void cleanup ()
 Clean up operation at the end of a sweep. More...
 
- Protected Member Functions inherited from Util::ParamComposite
void setClassName (const char *className)
 Set class name string. More...
 
void setIsRequired (bool isRequired)
 Set or unset the isActive flag. More...
 
void setIsActive (bool isActive)
 Set or unset the isActive flag. More...
 
void setParent (ParamComponent &param, bool next=true)
 Set this to the parent of a child component. More...
 
void addComponent (ParamComponent &param, bool isLeaf=true)
 Add a new ParamComponent object to the format array. More...
 
template<typename Type >
ScalarParam< Type > & add (std::istream &in, const char *label, Type &value, bool isRequired=true)
 Add a new required ScalarParam < Type > object. More...
 
template<typename Type >
CArrayParam< Type > & addCArray (std::istream &in, const char *label, Type *value, int n, bool isRequired=true)
 Add (but do not read) a required C array parameter. More...
 
template<typename Type >
DArrayParam< Type > & addDArray (std::istream &in, const char *label, DArray< Type > &array, int n, bool isRequired=true)
 Add (but do not read) a DArray < Type > parameter. More...
 
template<typename Type , int N>
FArrayParam< Type, N > & addFArray (std::istream &in, const char *label, FArray< Type, N > &array, bool isRequired=true)
 Add (but do not read) a FArray < Type, N > array parameter. More...
 
template<typename Type , int N>
FSArrayParam< Type, N > & addFSArray (std::istream &in, const char *label, FSArray< Type, N > &array, int size, bool isRequired=true)
 Add (but do not read) a FSArray < Type, N > array parameter. More...
 
template<typename Type >
CArray2DParam< Type > & addCArray2D (std::istream &in, const char *label, Type *value, int m, int n, int np, bool isRequired=true)
 Add (but do not read) a CArray2DParam < Type > 2D C-array. More...
 
template<typename Type >
DMatrixParam< Type > & addDMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int m, int n, bool isRequired=true)
 Add and read a required DMatrix < Type > matrix parameter. More...
 
- Protected Member Functions inherited from Util::ParamComponent
 ParamComponent ()
 Constructor. More...
 
 ParamComponent (const ParamComponent &other)
 Copy constructor. More...
 

Protected Attributes

int homogeneousMode_
 Mode for comparison to homogeneous system (none -> -1) More...
 
- Protected Attributes inherited from Pscf::SweepTmpl< DArray< System::WField > >
int ns_
 Number of steps. More...
 
std::string baseFileName_
 Base name for output files. More...
 

Additional Inherited Members

- Public Types inherited from Util::Serializable
typedef BinaryFileOArchive OArchive
 Type of output archive used by save method. More...
 
typedef BinaryFileIArchive IArchive
 Type of input archive used by load method. More...
 
- Static Public Member Functions inherited from Util::ParamComponent
static void initStatic ()
 Initialize static echo member to false. More...
 
static void setEcho (bool echo=true)
 Enable or disable echoing for all subclasses of ParamComponent. More...
 
static bool echo ()
 Get echo parameter. More...
 

Detailed Description

Solve a sequence of problems along a line in parameter space.

Definition at line 30 of file fd1d/sweep/Sweep.h.

Constructor & Destructor Documentation

◆ Sweep()

Pscf::Fd1d::Sweep::Sweep ( System system)

◆ ~Sweep()

Pscf::Fd1d::Sweep::~Sweep ( )

Destructor.

Definition at line 44 of file fd1d/sweep/Sweep.cpp.

Member Function Documentation

◆ readParameters()

void Pscf::Fd1d::Sweep::readParameters ( std::istream &  in)
virtual

Read ns and baseFileName parameters.

Parameters
ininput stream

Reimplemented from Pscf::SweepTmpl< DArray< System::WField > >.

Reimplemented in Pscf::Fd1d::LinearSweep.

Definition at line 50 of file fd1d/sweep/Sweep.cpp.

References homogeneousMode_, and Pscf::SweepTmpl< State >::readParameters().

Referenced by Pscf::Fd1d::LinearSweep::readParameters().

◆ outputSolution()

void Pscf::Fd1d::Sweep::outputSolution ( std::string const &  stateFileName)
virtual

◆ outputSummary()

void Pscf::Fd1d::Sweep::outputSummary ( std::ostream &  outFile)
virtual

◆ checkAllocation()

void Pscf::Fd1d::Sweep::checkAllocation ( Sweep::State state)
protectedvirtual

◆ setup()

void Pscf::Fd1d::Sweep::setup ( )
protectedvirtual

◆ setParameters()

void Pscf::Fd1d::Sweep::setParameters ( double  s)
protectedvirtual

Set non-adjustable system parameters to new values.

Parameters
snew value of contour coordinate, in range [0,1]

Implements Pscf::SweepTmpl< DArray< System::WField > >.

Reimplemented in Pscf::Fd1d::LinearSweep.

Definition at line 104 of file fd1d/sweep/Sweep.cpp.

References UTIL_THROW.

◆ extrapolate()

void Pscf::Fd1d::Sweep::extrapolate ( double  s)
protectedvirtual

◆ solve()

int Pscf::Fd1d::Sweep::solve ( bool  isContinuation)
protectedvirtual

Call the current iterator to solve one SCFT problem.

Call current iterator to solve SCFT problem.

Return 0 for sucessful solution, 1 on failure to converge.

Implements Pscf::SweepTmpl< DArray< System::WField > >.

Definition at line 148 of file fd1d/sweep/Sweep.cpp.

References Pscf::Fd1d::System::iterate(), and Pscf::Fd1d::SystemAccess::system().

◆ reset()

void Pscf::Fd1d::Sweep::reset ( )
protectedvirtual

Reset system to previous solution after iterature failure.

The implementation of this function resets the system state to correspond to that stored in state(0).

The implementation of this function should reset the system state to correspond to that stored in state(0).

Implements Pscf::SweepTmpl< DArray< System::WField > >.

Definition at line 157 of file fd1d/sweep/Sweep.cpp.

References Pscf::SweepTmpl< DArray< System::WField > >::state(), and Pscf::Fd1d::SystemAccess::wFields().

◆ getSolution()

void Pscf::Fd1d::Sweep::getSolution ( )
protectedvirtual

Update state(0) and output data after successful convergence.

The implementation of this function should copy the current system state into state(0) and output any desired information about the current converged solution.

The implementation of this function should copy the current system state into state(0) and output any desired information about the current converged solution.

Implements Pscf::SweepTmpl< DArray< System::WField > >.

Definition at line 167 of file fd1d/sweep/Sweep.cpp.

References Pscf::SweepTmpl< DArray< System::WField > >::baseFileName_, Pscf::Fd1d::HomogeneousComparison::compute(), homogeneousMode_, Pscf::SweepTmpl< DArray< System::WField > >::nAccept(), outputSolution(), outputSummary(), Pscf::SweepTmpl< DArray< System::WField > >::state(), Util::toString(), and Pscf::Fd1d::SystemAccess::wFields().

◆ cleanup()

void Pscf::Fd1d::Sweep::cleanup ( )
protectedvirtual

Close log file after end of sweep.

Reimplemented from Pscf::SweepTmpl< DArray< System::WField > >.

Definition at line 239 of file fd1d/sweep/Sweep.cpp.

Member Data Documentation

◆ homogeneousMode_

int Pscf::Fd1d::Sweep::homogeneousMode_
protected

Mode for comparison to homogeneous system (none -> -1)

Definition at line 76 of file fd1d/sweep/Sweep.h.

Referenced by getSolution(), outputSolution(), outputSummary(), and readParameters().


The documentation for this class was generated from the following files: