ppap4lmp  0.7.2
StaDumpAtoms Class Reference

StaDumpAtoms reads a Lammps' dump file and sets properties for atoms. More...

#include <sta_dump_atoms.h>

Inheritance diagram for StaDumpAtoms:
Collaboration diagram for StaDumpAtoms:

Public Member Functions

 StaDump (const Str &filepath_, const int timestep_)
 Constructor of StaDump class. More...
 
- Public Member Functions inherited from StaDump
 StaDump (const Str &filepath_, const int timestep_)
 Constructor of StaDump class. More...
 
- Public Member Functions inherited from Starter
 Updater ()=default
 Constructor of Updater class. More...
 
- Public Member Functions inherited from Updater
 Updater ()=default
 Constructor of Updater class. More...
 
void compute (const ElPtr &elem, const int elementid, Json &data)
 Managing computation to update Element::data. More...
 
void remove_from_skippable_elementids (const int elementid)
 Remove Element::elementid from skippable_elementids. More...
 
const ShPtr< Generator > & get_ext_generator ()
 Get ext_generator of this object. More...
 

Protected Member Functions

virtual void compute_impl (Json &data, JsonToVoidFunc check_required_keys, JsonToBoolFunc check_optional_keys) override
 This method overrides Updater::compute_impl. More...
 
- Protected Member Functions inherited from Starter
virtual void compute_body (const ElPtr &elem, Json &data) override
 Compute or parse properties and set them to Element::data given as a mutable reference. More...
 
- Protected Member Functions inherited from Updater
virtual void compute_common (const ElPtr &elem, Json &data)
 Common part of compute_body. More...
 

Additional Inherited Members

- Protected Attributes inherited from StaDump
int timestep
 
Str filepath
 
- Protected Attributes inherited from Updater
ShPtr< Generatorext_generator
 
- Static Protected Attributes inherited from Starter
static const bool do_sorting_by_id = true
 

Detailed Description

StaDumpAtoms reads a Lammps' dump file and sets properties for atoms.

An object of this class reads properties of atoms from a Lammps' dump file specified by filepath. Note that only properties at a time specified by timestep are read.

About usage in Python, please see pybind::py_sta_dump_atoms.

Definition at line 25 of file sta_dump_atoms.h.

Member Function Documentation

◆ compute_impl()

void StaDumpAtoms::compute_impl ( Json data,
JsonToVoidFunc  check_required_keys,
JsonToBoolFunc  check_optional_keys 
)
overrideprotectedvirtual

This method overrides Updater::compute_impl.

Property to be added
  • Keys to be set are names of dumped Lammps' atom property. In a Lammps' dump file, the names are printed in a line beginning with ITEM: ATOMS.

Implements Updater.

Definition at line 20 of file sta_dump_atoms.cpp.

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◆ StaDump()

StaDump::StaDump

Constructor of StaDump class.

Parameters
filepath_A path to a Lammps' dump file to be read. This parameter is assigned to filepath.
timestep_A timestep of simulation to be read. This parameter is assigned to timestep.

Definition at line 13 of file sta_dump.cpp.


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