/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories LAMMPS development team: developers@lammps.org Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #ifdef DUMP_CLASS // clang-format off DumpStyle(atom,DumpAtom); // clang-format on #else #ifndef LMP_DUMP_ATOM_H #define LMP_DUMP_ATOM_H #include "dump.h" namespace LAMMPS_NS { class DumpAtom : public Dump { public: DumpAtom(LAMMPS *, int, char **); const char *MAGIC_STRING = "DUMPATOM"; const int FORMAT_REVISION = 0x0002; const int ENDIAN = 0x0001; protected: int scale_flag; // 1 if atom coords are scaled, 0 if no int image_flag; // 1 if append box count to atom coords, 0 if no std::string columns; // column labels void init_style() override; int modify_param(int, char **) override; void write_header(bigint) override; void pack(tagint *) override; int convert_string(int, double *) override; void write_data(int, double *) override; void header_format_binary(); void header_unit_style_binary(); void header_time_binary(); void header_columns_binary(); void format_magic_string_binary(); void format_endian_binary(); void format_revision_binary(); typedef void (DumpAtom::*FnPtrHeader)(bigint); FnPtrHeader header_choice; // ptr to write header functions void header_binary(bigint); void header_binary_triclinic(bigint); void header_item(bigint); void header_item_triclinic(bigint); typedef void (DumpAtom::*FnPtrPack)(tagint *); FnPtrPack pack_choice; // ptr to pack functions void pack_scale_image(tagint *); void pack_scale_noimage(tagint *); void pack_noscale_image(tagint *); void pack_noscale_noimage(tagint *); void pack_scale_image_triclinic(tagint *); void pack_scale_noimage_triclinic(tagint *); typedef int (DumpAtom::*FnPtrConvert)(int, double *); FnPtrConvert convert_choice; // ptr to convert data functions int convert_image(int, double *); int convert_noimage(int, double *); typedef void (DumpAtom::*FnPtrWrite)(int, double *); FnPtrWrite write_choice; // ptr to write data functions void write_binary(int, double *); void write_string(int, double *); void write_lines_image(int, double *); void write_lines_noimage(int, double *); }; } // namespace LAMMPS_NS #endif #endif