Apply override to Dump classes

This commit is contained in:
Richard Berger
2022-01-20 16:58:23 -05:00
parent 7c9b0c1e8e
commit 586cf6c3bf
28 changed files with 161 additions and 171 deletions

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@ -28,17 +28,16 @@ namespace LAMMPS_NS {
class DumpAtomGZ : public DumpAtom {
public:
DumpAtomGZ(class LAMMPS *, int, char **);
virtual ~DumpAtomGZ() = default;
protected:
GzFileWriter writer;
virtual void openfile();
virtual void write_header(bigint);
virtual void write_data(int, double *);
virtual void write();
void openfile() override;
void write_header(bigint) override;
void write_data(int, double *) override;
void write() override;
virtual int modify_param(int, char **);
int modify_param(int, char **) override;
};
} // namespace LAMMPS_NS

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@ -34,17 +34,16 @@ namespace LAMMPS_NS {
class DumpAtomZstd : public DumpAtom {
public:
DumpAtomZstd(class LAMMPS *, int, char **);
virtual ~DumpAtomZstd() = default;
protected:
ZstdFileWriter writer;
virtual void openfile();
virtual void write_header(bigint);
virtual void write_data(int, double *);
virtual void write();
void openfile() override;
void write_header(bigint) override;
void write_data(int, double *) override;
void write() override;
virtual int modify_param(int, char **);
int modify_param(int, char **) override;
};
} // namespace LAMMPS_NS

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@ -28,17 +28,16 @@ namespace LAMMPS_NS {
class DumpCFGGZ : public DumpCFG {
public:
DumpCFGGZ(class LAMMPS *, int, char **);
virtual ~DumpCFGGZ() = default;
protected:
GzFileWriter writer;
virtual void openfile();
virtual void write_header(bigint);
virtual void write_data(int, double *);
virtual void write();
void openfile() override;
void write_header(bigint) override;
void write_data(int, double *) override;
void write() override;
virtual int modify_param(int, char **);
int modify_param(int, char **) override;
};
} // namespace LAMMPS_NS

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@ -33,17 +33,16 @@ namespace LAMMPS_NS {
class DumpCFGZstd : public DumpCFG {
public:
DumpCFGZstd(class LAMMPS *, int, char **);
virtual ~DumpCFGZstd() = default;
protected:
ZstdFileWriter writer;
virtual void openfile();
virtual void write_header(bigint);
virtual void write_data(int, double *);
virtual void write();
void openfile() override;
void write_header(bigint) override;
void write_data(int, double *) override;
void write() override;
virtual int modify_param(int, char **);
int modify_param(int, char **) override;
};
} // namespace LAMMPS_NS

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@ -28,17 +28,16 @@ namespace LAMMPS_NS {
class DumpCustomGZ : public DumpCustom {
public:
DumpCustomGZ(class LAMMPS *, int, char **);
virtual ~DumpCustomGZ() = default;
protected:
GzFileWriter writer;
virtual void openfile();
virtual void write_header(bigint);
virtual void write_data(int, double *);
virtual void write();
void openfile() override;
void write_header(bigint) override;
void write_data(int, double *) override;
void write() override;
virtual int modify_param(int, char **);
int modify_param(int, char **) override;
};
} // namespace LAMMPS_NS

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@ -34,17 +34,16 @@ namespace LAMMPS_NS {
class DumpCustomZstd : public DumpCustom {
public:
DumpCustomZstd(class LAMMPS *, int, char **);
virtual ~DumpCustomZstd() = default;
protected:
ZstdFileWriter writer;
virtual void openfile();
virtual void write_header(bigint);
virtual void write_data(int, double *);
virtual void write();
void openfile() override;
void write_header(bigint) override;
void write_data(int, double *) override;
void write() override;
virtual int modify_param(int, char **);
int modify_param(int, char **) override;
};
} // namespace LAMMPS_NS

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@ -28,17 +28,16 @@ namespace LAMMPS_NS {
class DumpLocalGZ : public DumpLocal {
public:
DumpLocalGZ(class LAMMPS *, int, char **);
virtual ~DumpLocalGZ() = default;
protected:
GzFileWriter writer;
virtual void openfile();
virtual void write_header(bigint);
virtual void write_data(int, double *);
virtual void write();
void openfile() override;
void write_header(bigint) override;
void write_data(int, double *) override;
void write() override;
virtual int modify_param(int, char **);
int modify_param(int, char **) override;
};
} // namespace LAMMPS_NS

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@ -34,17 +34,16 @@ namespace LAMMPS_NS {
class DumpLocalZstd : public DumpLocal {
public:
DumpLocalZstd(class LAMMPS *, int, char **);
virtual ~DumpLocalZstd() = default;
protected:
ZstdFileWriter writer;
virtual void openfile();
virtual void write_header(bigint);
virtual void write_data(int, double *);
virtual void write();
void openfile() override;
void write_header(bigint) override;
void write_data(int, double *) override;
void write() override;
virtual int modify_param(int, char **);
int modify_param(int, char **) override;
};
} // namespace LAMMPS_NS

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@ -28,17 +28,16 @@ namespace LAMMPS_NS {
class DumpXYZGZ : public DumpXYZ {
public:
DumpXYZGZ(class LAMMPS *, int, char **);
virtual ~DumpXYZGZ() = default;
protected:
GzFileWriter writer;
virtual void openfile();
virtual void write_header(bigint);
virtual void write_data(int, double *);
virtual void write();
void openfile() override;
void write_header(bigint) override;
void write_data(int, double *) override;
void write() override;
virtual int modify_param(int, char **);
int modify_param(int, char **) override;
};
} // namespace LAMMPS_NS

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@ -34,17 +34,16 @@ namespace LAMMPS_NS {
class DumpXYZZstd : public DumpXYZ {
public:
DumpXYZZstd(class LAMMPS *, int, char **);
virtual ~DumpXYZZstd() = default;
protected:
ZstdFileWriter writer;
virtual void openfile();
virtual void write_header(bigint);
virtual void write_data(int, double *);
virtual void write();
void openfile() override;
void write_header(bigint) override;
void write_data(int, double *) override;
void write() override;
virtual int modify_param(int, char **);
int modify_param(int, char **) override;
};
} // namespace LAMMPS_NS

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@ -31,12 +31,12 @@ class GzFileWriter : public FileWriter {
gzFile gzFp; // file pointer for the compressed output stream
public:
GzFileWriter();
virtual ~GzFileWriter();
virtual void open(const std::string &path, bool append = false) override;
virtual void close() override;
virtual void flush() override;
virtual size_t write(const void *buffer, size_t length) override;
virtual bool isopen() const override;
~GzFileWriter() override;
void open(const std::string &path, bool append = false) override;
void close() override;
void flush() override;
size_t write(const void *buffer, size_t length) override;
bool isopen() const override;
void setCompressionLevel(int level);
};

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@ -42,12 +42,12 @@ class ZstdFileWriter : public FileWriter {
public:
ZstdFileWriter();
virtual ~ZstdFileWriter();
virtual void open(const std::string &path, bool append = false) override;
virtual void close() override;
virtual void flush() override;
virtual size_t write(const void *buffer, size_t length) override;
virtual bool isopen() const override;
~ZstdFileWriter() override;
void open(const std::string &path, bool append = false) override;
void close() override;
void flush() override;
size_t write(const void *buffer, size_t length) override;
bool isopen() const override;
void setCompressionLevel(int level);
void setChecksum(bool enabled);

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@ -27,7 +27,7 @@ namespace LAMMPS_NS {
class DumpDCD : public Dump {
public:
DumpDCD(LAMMPS *, int, char **);
virtual ~DumpDCD();
~DumpDCD() override;
private:
int natoms, ntotal;
@ -36,13 +36,13 @@ class DumpDCD : public Dump {
float *coords, *xf, *yf, *zf;
int unwrap_flag; // 1 if atom coords are unwrapped, 0 if no
void init_style();
void openfile();
void write_header(bigint);
void pack(tagint *);
void write_data(int, double *);
int modify_param(int, char **);
double memory_usage();
void init_style() override;
void openfile() override;
void write_header(bigint) override;
void pack(tagint *) override;
void write_data(int, double *) override;
int modify_param(int, char **) override;
double memory_usage() override;
void write_frame();
void write_dcd_header(const char *);

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@ -28,7 +28,7 @@ namespace LAMMPS_NS {
class DumpXTC : public Dump {
public:
DumpXTC(class LAMMPS *, int, char **);
virtual ~DumpXTC();
~DumpXTC() override;
private:
int natoms, ntotal;
@ -39,13 +39,13 @@ class DumpXTC : public Dump {
double sfactor, tfactor; // scaling factors for positions and time unit
XDR xd;
void init_style();
int modify_param(int, char **);
void openfile();
void write_header(bigint);
void pack(tagint *);
void write_data(int, double *);
double memory_usage();
void init_style() override;
int modify_param(int, char **) override;
void openfile() override;
void write_header(bigint) override;
void pack(tagint *) override;
void write_data(int, double *) override;
double memory_usage() override;
void write_frame();
};

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@ -29,8 +29,8 @@ namespace LAMMPS_NS {
class DumpMolfile : public Dump {
public:
DumpMolfile(LAMMPS *, int, char **);
virtual ~DumpMolfile();
virtual void write();
~DumpMolfile() override;
void write() override;
protected:
class MolfileInterface *mf; //< handles low-level I/O
@ -46,13 +46,13 @@ class DumpMolfile : public Dump {
int topology_flag; // 1 if writing topology data, 0 if not
float cell[6]; // cell parameters: A, B, C, alpha, beta, gamma
virtual void init_style();
virtual int modify_param(int, char **);
virtual void write_header(bigint){};
virtual void pack(tagint *);
virtual void write_data(int, double *);
virtual double memory_usage();
virtual void openfile();
void init_style() override;
int modify_param(int, char **) override;
void write_header(bigint) override{};
void pack(tagint *) override;
void write_data(int, double *) override;
double memory_usage() override;
void openfile() override;
};
} // namespace LAMMPS_NS

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@ -29,8 +29,8 @@ namespace LAMMPS_NS {
class DumpCFGUef : public DumpCFG {
public:
DumpCFGUef(LAMMPS *lmp, int narg, char **arg) : DumpCFG(lmp, narg, arg) {}
void init_style();
void write_header(bigint);
void init_style() override;
void write_header(bigint) override;
protected:
int ifix_uef;

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@ -27,28 +27,28 @@ namespace UEF_utils {
class FixNHUef : public FixNH {
public:
FixNHUef(class LAMMPS *, int, char **);
virtual ~FixNHUef();
virtual int setmask();
virtual void init();
virtual void setup(int);
virtual void pre_exchange();
virtual int pack_restart_data(double *);
virtual void restart(char *);
virtual void end_of_step();
virtual void initial_integrate(int);
virtual void final_integrate();
virtual void initial_integrate_respa(int, int, int);
virtual void final_integrate_respa(int, int);
virtual void post_run();
~FixNHUef() override;
int setmask() override;
void init() override;
void setup(int) override;
void pre_exchange() override;
int pack_restart_data(double *) override;
void restart(char *) override;
void end_of_step() override;
void initial_integrate(int) override;
void final_integrate() override;
void initial_integrate_respa(int, int, int) override;
void final_integrate_respa(int, int) override;
void post_run() override;
void get_rot(double[3][3]);
void get_ext_flags(bool *);
void get_box(double[3][3]);
protected:
virtual void remap();
virtual int size_restart_global();
virtual void nve_x();
virtual void nve_v();
void remap() override;
int size_restart_global() override;
void nve_x() override;
void nve_v() override;
void rotate_x(double[3][3]);
void inv_rotate_x(double[3][3]);
void rotate_v(double[3][3]);

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@ -37,7 +37,7 @@ class Dump : protected Pointers {
#endif
Dump(class LAMMPS *, int, char **);
virtual ~Dump();
~Dump() override;
void init();
virtual void write();

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@ -38,12 +38,12 @@ class DumpAtom : public Dump {
char *columns; // column labels
void init_style();
int modify_param(int, char **);
void write_header(bigint);
void pack(tagint *);
int convert_string(int, double *);
void write_data(int, double *);
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();

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@ -29,16 +29,16 @@ class DumpCFG : public DumpCustom {
int multifile_override; // used by write_dump command
DumpCFG(class LAMMPS *, int, char **);
virtual ~DumpCFG();
~DumpCFG() override;
protected:
char **auxname; // name strings of auxiliary properties
int unwrapflag; // 1 if unwrapped coordinates are requested
void init_style();
virtual void write_header(bigint);
int convert_string(int, double *);
virtual void write_data(int, double *);
void init_style() override;
void write_header(bigint) override;
int convert_string(int, double *) override;
void write_data(int, double *) override;
typedef void (DumpCFG::*FnPtrWrite)(int, double *);
FnPtrWrite write_choice; // ptr to write data functions

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@ -27,7 +27,7 @@ namespace LAMMPS_NS {
class DumpCustom : public Dump {
public:
DumpCustom(class LAMMPS *, int, char **);
virtual ~DumpCustom();
~DumpCustom() override;
const char *MAGIC_STRING = "DUMPCUSTOM";
const int FORMAT_REVISION = 0x0002;
@ -97,20 +97,20 @@ class DumpCustom : public Dump {
// private methods
virtual void init_style();
virtual void write_header(bigint);
int count();
void pack(tagint *);
virtual int convert_string(int, double *);
virtual void write_data(int, double *);
double memory_usage();
void init_style() override;
void write_header(bigint) override;
int count() override;
void pack(tagint *) override;
int convert_string(int, double *) override;
void write_data(int, double *) override;
double memory_usage() override;
int parse_fields(int, char **);
int add_compute(const char *);
int add_fix(const char *);
int add_variable(const char *);
int add_custom(const char *, int);
virtual int modify_param(int, char **);
int modify_param(int, char **) override;
void header_format_binary();
void header_unit_style_binary();

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@ -28,11 +28,11 @@ namespace LAMMPS_NS {
class DumpDeprecated : public Dump {
public:
DumpDeprecated(class LAMMPS *, int, char **);
~DumpDeprecated() {}
virtual void init_style() {}
virtual void write_header(bigint) {}
virtual void pack(tagint *) {}
virtual void write_data(int, double *) {}
~DumpDeprecated() override {}
void init_style() override {}
void write_header(bigint) override {}
void pack(tagint *) override {}
void write_data(int, double *) override {}
};
} // namespace LAMMPS_NS

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@ -29,9 +29,9 @@ class DumpImage : public DumpCustom {
int multifile_override; // used by write_dump command
DumpImage(class LAMMPS *, int, char **);
virtual ~DumpImage();
int pack_forward_comm(int, int *, double *, int, int *);
void unpack_forward_comm(int, int, double *);
~DumpImage() override;
int pack_forward_comm(int, int *, double *, int, int *) override;
void unpack_forward_comm(int, int, double *) override;
protected:
int filetype;
@ -91,9 +91,9 @@ class DumpImage : public DumpCustom {
double **bufcopy; // buffer for communicating bond/atom info
int maxbufcopy;
virtual void init_style();
int modify_param(int, char **);
void write();
void init_style() override;
int modify_param(int, char **) override;
void write() override;
void box_center();
void view_params();

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@ -27,7 +27,7 @@ namespace LAMMPS_NS {
class DumpLocal : public Dump {
public:
DumpLocal(LAMMPS *, int, char **);
virtual ~DumpLocal();
~DumpLocal() override;
protected:
int nevery; // dump frequency to check Fix against
@ -53,13 +53,13 @@ class DumpLocal : public Dump {
char **id_fix; // their IDs
class Fix **fix; // list of ptrs to the Fix objects
void init_style();
int modify_param(int, char **);
virtual void write_header(bigint);
int count();
void pack(tagint *);
int convert_string(int, double *);
virtual void write_data(int, double *);
void init_style() override;
int modify_param(int, char **) override;
void write_header(bigint) override;
int count() override;
void pack(tagint *) override;
int convert_string(int, double *) override;
void write_data(int, double *) override;
void parse_fields(int, char **);
int add_compute(const char *);

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@ -27,11 +27,11 @@ namespace LAMMPS_NS {
class DumpMovie : public DumpImage {
public:
DumpMovie(LAMMPS *, int, char **);
virtual ~DumpMovie();
~DumpMovie() override;
virtual void openfile();
virtual void init_style();
virtual int modify_param(int, char **);
void openfile() override;
void init_style() override;
int modify_param(int, char **) override;
protected:
double framerate; // frame rate of animation

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@ -27,18 +27,18 @@ namespace LAMMPS_NS {
class DumpXYZ : public Dump {
public:
DumpXYZ(class LAMMPS *, int, char **);
virtual ~DumpXYZ();
~DumpXYZ() override;
protected:
int ntypes;
char **typenames;
void init_style();
void write_header(bigint);
void pack(tagint *);
int convert_string(int, double *);
void write_data(int, double *);
int modify_param(int, char **);
void init_style() override;
void write_header(bigint) override;
void pack(tagint *) override;
int convert_string(int, double *) override;
void write_data(int, double *) override;
int modify_param(int, char **) override;
typedef void (DumpXYZ::*FnPtrWrite)(int, double *);
FnPtrWrite write_choice; // ptr to write data functions

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@ -39,9 +39,9 @@ class FileWriterException : public std::exception {
public:
FileWriterException(const std::string &msg) : message(msg) {}
~FileWriterException() noexcept {}
~FileWriterException() noexcept override {}
virtual const char *what() const noexcept { return message.c_str(); }
const char *what() const noexcept override { return message.c_str(); }
};
} // namespace LAMMPS_NS

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@ -35,7 +35,7 @@ class Image : protected Pointers {
int background[3]; // RGB values of background
Image(class LAMMPS *, int);
~Image();
~Image() override;
void buffers();
void clear();
void merge();
@ -150,7 +150,7 @@ class ColorMap : protected Pointers {
int dynamic; // 0/1 if lo/hi bounds are static/dynamic
ColorMap(class LAMMPS *, class Image *);
~ColorMap();
~ColorMap() override;
int reset(int, char **);
int minmax(double, double);
double *value2color(double);