diff --git a/include/tadah/mlip/dataset_writers/dataset_writer_selector.h b/include/tadah/mlip/dataset_writers/dataset_writer_selector.h deleted file mode 100644 index 7ea4f85e78bec210bd6ee9a92347e6899026734b..0000000000000000000000000000000000000000 --- a/include/tadah/mlip/dataset_writers/dataset_writer_selector.h +++ /dev/null @@ -1,15 +0,0 @@ -#ifndef DATASET_WRITER_SELECTOR_H -#define DATASET_WRITER_SELECTOR_H - -#include <tadah/mlip/structure_db.h> -#include <tadah/mlip/dataset_writers/dataset_writer.h> -#include <string> -#include <memory> - -class DatasetWriterSelector { - public: - static std::unique_ptr<DatasetWriter> get_writer(const std::string& type, StructureDB& db); - -}; - -#endif // DATASET_WRITER_SELECTOR_H diff --git a/include/tadah/mlip/dataset_writers/castep_cell_writer.h b/include/tadah/mlip/structure_writers/castep_cell_writer.h similarity index 78% rename from include/tadah/mlip/dataset_writers/castep_cell_writer.h rename to include/tadah/mlip/structure_writers/castep_cell_writer.h index 90b799c4c70c0be8ad1748098765c4d9f5d50157..221578759466f9fa3e77f52b5fe498cd27786ba8 100644 --- a/include/tadah/mlip/dataset_writers/castep_cell_writer.h +++ b/include/tadah/mlip/structure_writers/castep_cell_writer.h @@ -3,14 +3,14 @@ #include <tadah/mlip/structure.h> #include <tadah/mlip/structure_db.h> -#include <tadah/mlip/dataset_writers/dataset_writer.h> +#include <tadah/mlip/structure_writers/structure_writer.h> #include <iostream> #include <fstream> #include <sstream> #include <vector> #include <stdexcept> -class CastepCellWriter : public DatasetWriter { +class CastepCellWriter : public StructureWriter { public: CastepCellWriter(StructureDB& db); diff --git a/include/tadah/mlip/dataset_writers/lammps_structure_writer.h b/include/tadah/mlip/structure_writers/lammps_structure_writer.h similarity index 78% rename from include/tadah/mlip/dataset_writers/lammps_structure_writer.h rename to include/tadah/mlip/structure_writers/lammps_structure_writer.h index 5ee539aea758bf972b33262af856c830ce241846..8d76b4d19643166ee32c14c7e1672644f77c1295 100644 --- a/include/tadah/mlip/dataset_writers/lammps_structure_writer.h +++ b/include/tadah/mlip/structure_writers/lammps_structure_writer.h @@ -3,14 +3,14 @@ #include <tadah/mlip/structure.h> #include <tadah/mlip/structure_db.h> -#include <tadah/mlip/dataset_writers/dataset_writer.h> +#include <tadah/mlip/structure_writers/structure_writer.h> #include <iostream> #include <fstream> #include <sstream> #include <vector> #include <stdexcept> -class LammpsStructureWriter : public DatasetWriter { +class LammpsStructureWriter : public StructureWriter { public: LammpsStructureWriter(StructureDB& db); diff --git a/include/tadah/mlip/dataset_writers/dataset_writer.h b/include/tadah/mlip/structure_writers/structure_writer.h similarity index 63% rename from include/tadah/mlip/dataset_writers/dataset_writer.h rename to include/tadah/mlip/structure_writers/structure_writer.h index 91ff858df6c7f77b083a654440ed371e224525be..d736922129b622b5c96207c9fb2a4d112f365ca2 100644 --- a/include/tadah/mlip/dataset_writers/dataset_writer.h +++ b/include/tadah/mlip/structure_writers/structure_writer.h @@ -1,17 +1,17 @@ -#ifndef DATASET_WRITER_H -#define DATASET_WRITER_H +#ifndef STRUCTURE_WRITER_H +#define STRUCTURE_WRITER_H #include <tadah/mlip/structure_db.h> #include <string> #include <vector> -class DatasetWriter { +class StructureWriter { public: - virtual ~DatasetWriter() = default; + virtual ~StructureWriter() = default; virtual void write_data(const std::string& filename, const size_t i) = 0; - DatasetWriter(StructureDB& db) : stdb(db) {}; + StructureWriter(StructureDB& db) : stdb(db) {}; virtual void set_precision(const size_t _p) { p = _p; w = p+6; }; @@ -20,4 +20,4 @@ class DatasetWriter { double p = 10; // output precision double w = p+6; // column width }; -#endif // DATASET_WRITER_H +#endif // STRUCTURE_WRITER_H diff --git a/include/tadah/mlip/structure_writers/structure_writer_selector.h b/include/tadah/mlip/structure_writers/structure_writer_selector.h new file mode 100644 index 0000000000000000000000000000000000000000..7630c918f8c93100ee45440786d1183a028796f0 --- /dev/null +++ b/include/tadah/mlip/structure_writers/structure_writer_selector.h @@ -0,0 +1,15 @@ +#ifndef STRUCTURE_WRITER_SELECTOR_H +#define STRUCTURE_WRITER_SELECTOR_H + +#include <tadah/mlip/structure_db.h> +#include <tadah/mlip/structure_writers/structure_writer.h> +#include <string> +#include <memory> + +class StructureWriterSelector { + public: + static std::unique_ptr<StructureWriter> get_writer(const std::string& type, StructureDB& db); + +}; + +#endif // STRUCTURE_WRITER_SELECTOR_H diff --git a/include/tadah/mlip/dataset_writers/vasp_poscar_writer.h b/include/tadah/mlip/structure_writers/vasp_poscar_writer.h similarity index 78% rename from include/tadah/mlip/dataset_writers/vasp_poscar_writer.h rename to include/tadah/mlip/structure_writers/vasp_poscar_writer.h index abd58b8b38aa34b1330e0c22703ff4d24c0df9e4..1215c01735c1d851d6b76332f720a79c5c7ffdc4 100644 --- a/include/tadah/mlip/dataset_writers/vasp_poscar_writer.h +++ b/include/tadah/mlip/structure_writers/vasp_poscar_writer.h @@ -3,14 +3,14 @@ #include <tadah/mlip/structure.h> #include <tadah/mlip/structure_db.h> -#include <tadah/mlip/dataset_writers/dataset_writer.h> +#include <tadah/mlip/structure_writers/structure_writer.h> #include <iostream> #include <fstream> #include <sstream> #include <vector> #include <stdexcept> -class VaspPoscarWriter : public DatasetWriter { +class VaspPoscarWriter : public StructureWriter { public: VaspPoscarWriter(StructureDB& db); diff --git a/src/castep_cell_writer.cpp b/src/castep_cell_writer.cpp index 144da27ab7715efa0a652dfc27c88ad8745a2d94..8d78f74d9458200da91c6e0996a2bc3fd755fc19 100644 --- a/src/castep_cell_writer.cpp +++ b/src/castep_cell_writer.cpp @@ -1,8 +1,8 @@ #include <tadah/mlip/structure.h> #include <tadah/mlip/structure_db.h> -#include <tadah/mlip/dataset_writers/castep_cell_writer.h> +#include <tadah/mlip/structure_writers/castep_cell_writer.h> -CastepCellWriter::CastepCellWriter(StructureDB& db) : DatasetWriter(db) {} +CastepCellWriter::CastepCellWriter(StructureDB& db) : StructureWriter(db) {} void CastepCellWriter::write_data(const std::string& filename, const size_t i) { diff --git a/src/lammps_structure_writer.cpp b/src/lammps_structure_writer.cpp index e634f3837cb870add5d88fb12e086c10472bbd5e..f0b1ba63dd4baa466df45d960e9f2d7a11b37c36 100644 --- a/src/lammps_structure_writer.cpp +++ b/src/lammps_structure_writer.cpp @@ -1,8 +1,8 @@ #include <tadah/mlip/structure.h> #include <tadah/mlip/structure_db.h> -#include <tadah/mlip/dataset_writers/lammps_structure_writer.h> +#include <tadah/mlip/structure_writers/lammps_structure_writer.h> -LammpsStructureWriter::LammpsStructureWriter(StructureDB& db) : DatasetWriter(db) {} +LammpsStructureWriter::LammpsStructureWriter(StructureDB& db) : StructureWriter(db) {} void LammpsStructureWriter::write_data(const std::string& filename, const size_t i) { diff --git a/src/dataset_writer_selector.cpp b/src/structure_writer_selector.cpp similarity index 51% rename from src/dataset_writer_selector.cpp rename to src/structure_writer_selector.cpp index c038bedb81b2a239201601371d1b15761a39933d..c469534b40e25e8f3c7533ea240d5355ae14af1d 100644 --- a/src/dataset_writer_selector.cpp +++ b/src/structure_writer_selector.cpp @@ -1,10 +1,10 @@ -#include <tadah/mlip/dataset_writers/dataset_writer_selector.h> -#include <tadah/mlip/dataset_writers/castep_cell_writer.h> -#include <tadah/mlip/dataset_writers/vasp_poscar_writer.h> -#include <tadah/mlip/dataset_writers/lammps_structure_writer.h> +#include <tadah/mlip/structure_writers/structure_writer_selector.h> +#include <tadah/mlip/structure_writers/castep_cell_writer.h> +#include <tadah/mlip/structure_writers/vasp_poscar_writer.h> +#include <tadah/mlip/structure_writers/lammps_structure_writer.h> // Factory method implementation -std::unique_ptr<DatasetWriter> DatasetWriterSelector::get_writer(const std::string& type, StructureDB& db) { +std::unique_ptr<StructureWriter> StructureWriterSelector::get_writer(const std::string& type, StructureDB& db) { if (type == "CASTEP") { return std::make_unique<CastepCellWriter>(db); diff --git a/src/vasp_poscar_writer.cpp b/src/vasp_poscar_writer.cpp index 33144181c9849ec4779e063c081dd39e8c3592f9..f37897d3870bc92bbb0c2305ae9f4bef60299694 100644 --- a/src/vasp_poscar_writer.cpp +++ b/src/vasp_poscar_writer.cpp @@ -1,10 +1,10 @@ #include <tadah/mlip/structure.h> #include <tadah/mlip/structure_db.h> -#include <tadah/mlip/dataset_writers/vasp_poscar_writer.h> +#include <tadah/mlip/structure_writers/vasp_poscar_writer.h> #include <fstream> -VaspPoscarWriter::VaspPoscarWriter(StructureDB& db) : DatasetWriter(db) {} +VaspPoscarWriter::VaspPoscarWriter(StructureDB& db) : StructureWriter(db) {} void VaspPoscarWriter::write_data(const std::string& filename, const size_t i) {