Commit 06e3a11c authored by Richard Berger's avatar Richard Berger
Browse files

Add styles output to info command 

Adds the ability to list all available styles in LAMMPS with:

```
info styles
```

Each style can also be printed separately using one of the following:

```
info atom_styles
info integrate_styles
info minimize_styles
info pair_styles
info bond_styles
info angle_styles
info dihedral_styles
info improper_styles
info kspace_styles
info fix_styles
info compute_styles
info region_styles
info dump_styles
```
parent 0252347d

src/info.cpp

+327 −5
Original line number Diff line number Diff line 
/* ----------------------------------------------------------------------

  fputs

   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator

   http://lammps.sandia.gov, Sandia National Laboratories

   Steve Plimpton, sjplimp@sandia.gov
@@ -12,7 +13,8 @@ 
------------------------------------------------------------------------- */



/* ----------------------------------------------------------------------

   Contributing author:  Axel Kohlmeyer (Temple U)

   Contributing authors:  Axel Kohlmeyer (Temple U),

                          Richard Berger (Temple U)

------------------------------------------------------------------------- */



#include <string.h>
@@ -39,6 +41,9 @@ 
#include "error.h"



#include <time.h>

#include <vector>

#include <string>

#include <algorithm>



#ifdef _WIN32

#define PSAPI_VERSION=1
@@ -70,9 +75,29 @@ enum {COMPUTES=1<<0, 
      VARIABLES=1<<7,

      SYSTEM=1<<8,

      COMM=1<<9,

      ATOM_STYLES=1<<10,

      INTEGRATE_STYLES=1<<11,

      MINIMIZE_STYLES=1<<12,

      PAIR_STYLES=1<<13,

      BOND_STYLES=1<<14,

      ANGLE_STYLES=1<<15,

      DIHEDRAL_STYLES=1<<16,

      IMPROPER_STYLES=1<<17,

      KSPACE_STYLES=1<<18,

      FIX_STYLES=1<<19,

      COMPUTE_STYLES=1<<20,

      REGION_STYLES=1<<21,

      DUMP_STYLES=1<<22,

      COMMAND_STYLES=1<<23,

      ALL=~0};



static const int STYLES = ATOM_STYLES | INTEGRATE_STYLES | MINIMIZE_STYLES | PAIR_STYLES | BOND_STYLES | \

                         ANGLE_STYLES | DIHEDRAL_STYLES | IMPROPER_STYLES | KSPACE_STYLES | FIX_STYLES | \

                         COMPUTE_STYLES | REGION_STYLES | DUMP_STYLES | COMMAND_STYLES;



}





static const char *varstyles[] = {

  "index", "loop", "world", "universe", "uloop", "string", "getenv",

  "file", "atomfile", "format", "equal", "atom", "python", "(unknown)"};
@@ -85,6 +110,9 @@ static const char *commlayout[] = { "uniform", "nonuniform", "irregular" }; 
static const char bstyles[] = "pfsm";



using namespace LAMMPS_NS;

using namespace std;



static void print_columns(FILE* fp, vector<string> & styles);



/* ---------------------------------------------------------------------- */
@@ -122,16 +150,58 @@ void Info::command(int narg, char **arg) 
      if ((out != screen) && (out != logfile)) fclose(out);

      out = fopen(arg[idx+2],"w");

      idx += 3;

    } else if (strncmp(arg[idx],"communication",4) == 0) {

    } else if (strncmp(arg[idx],"atom_styles",3) == 0) {

      flags |= ATOM_STYLES;

      ++idx;

    } else if (strncmp(arg[idx],"integrate_styles",3) == 0) {

      flags |= INTEGRATE_STYLES;

      ++idx;

    } else if (strncmp(arg[idx],"minimize_styles",3) == 0) {

      flags |= MINIMIZE_STYLES;

      ++idx;

    } else if (strncmp(arg[idx],"pair_styles",3) == 0) {

      flags |= PAIR_STYLES;

      ++idx;

    } else if (strncmp(arg[idx],"bond_styles",3) == 0) {

      flags |= BOND_STYLES;

      ++idx;

    } else if (strncmp(arg[idx],"angle_styles",3) == 0) {

      flags |= ANGLE_STYLES;

      ++idx;

    } else if (strncmp(arg[idx],"dihedral_styles",3) == 0) {

      flags |= DIHEDRAL_STYLES;

      ++idx;

    } else if (strncmp(arg[idx],"improper_styles",3) == 0) {

      flags |= IMPROPER_STYLES;

      ++idx;

    } else if (strncmp(arg[idx],"kspace_styles",3) == 0) {

      flags |= KSPACE_STYLES;

      ++idx;

    } else if (strncmp(arg[idx],"fix_styles",3) == 0) {

      flags |= FIX_STYLES;

      ++idx;

    } else if (strncmp(arg[idx],"compute_styles",5) == 0) {

      flags |= COMPUTE_STYLES;

      ++idx;

    } else if (strncmp(arg[idx],"region_styles",3) == 0) {

      flags |= REGION_STYLES;

      ++idx;

    } else if (strncmp(arg[idx],"dump_styles",3) == 0) {

      flags |= DUMP_STYLES;

      ++idx;

    } else if (strncmp(arg[idx],"command_styles",5) == 0) {

      flags |= COMMAND_STYLES;

      ++idx;

    } else if (strncmp(arg[idx],"communication",5) == 0) {

      flags |= COMM;

      ++idx;

    } else if (strncmp(arg[idx],"computes",4) == 0) {

    } else if (strncmp(arg[idx],"computes",5) == 0) {

      flags |= COMPUTES;

      ++idx;

    } else if (strncmp(arg[idx],"dumps",3) == 0) {

    } else if (strncmp(arg[idx],"dumps",5) == 0) {

      flags |= DUMPS;

      ++idx;

    } else if (strncmp(arg[idx],"fixes",3) == 0) {

    } else if (strncmp(arg[idx],"fixes",5) == 0) {

      flags |= FIXES;

      ++idx;

    } else if (strncmp(arg[idx],"groups",3) == 0) {
@@ -152,6 +222,9 @@ void Info::command(int narg, char **arg) 
    } else if (strncmp(arg[idx],"system",3) == 0) {

      flags |= SYSTEM;

      ++idx;

    } else if (strncmp(arg[idx],"styles",3) == 0) {

      flags |= STYLES;

      ++idx;

    } else {

      error->warning(FLERR,"Ignoring unknown or incorrect info command flag");

      ++idx;
@@ -457,6 +530,10 @@ void Info::command(int narg, char **arg) 
            cpuh,cpum,cpus,wallh,wallm,walls);

  }



  if (flags & STYLES) {

    available_styles(out, flags);

  }



  fputs("\nInfo-Info-Info-Info-Info-Info-Info-Info-Info-Info-Info\n\n",out);



  // close output file pointer if opened locally thus forcing a hard sync.
@@ -464,6 +541,211 @@ void Info::command(int narg, char **arg) 
    fclose(out);

}





void Info::available_styles(FILE * out, int flags)

{



  fprintf(out,"\nStyles information:\n");



  if(flags & ATOM_STYLES)      atom_styles(out);

  if(flags & INTEGRATE_STYLES) integrate_styles(out);

  if(flags & MINIMIZE_STYLES)  minimize_styles(out);

  if(flags & PAIR_STYLES)      pair_styles(out);

  if(flags & BOND_STYLES)      bond_styles(out);

  if(flags & ANGLE_STYLES)     angle_styles(out);

  if(flags & DIHEDRAL_STYLES)  dihedral_styles(out);

  if(flags & IMPROPER_STYLES)  improper_styles(out);

  if(flags & KSPACE_STYLES)    kspace_styles(out);

  if(flags & FIX_STYLES)       fix_styles(out);

  if(flags & COMPUTE_STYLES)   compute_styles(out);

  if(flags & REGION_STYLES)    region_styles(out);

  if(flags & DUMP_STYLES)      dump_styles(out);

  if(flags & COMMAND_STYLES)   command_styles(out);

}



void Info::atom_styles(FILE * out)

{

  fprintf(out, "\nAtom styles:\n");



  vector<string> styles;

#define ATOM_CLASS

#define AtomStyle(key,Class) styles.push_back(#key);

#include "style_atom.h"

#undef ATOM_CLASS

  print_columns(out, styles);

  fprintf(out, "\n\n\n");

}



void Info::integrate_styles(FILE * out)

{

  fprintf(out, "\nIntegrate styles:\n");



  vector<string> styles;

#define INTEGRATE_CLASS

#define IntegrateStyle(key,Class) styles.push_back(#key);

#include "style_integrate.h"

#undef INTEGRATE_CLASS

  print_columns(out, styles);

  fprintf(out, "\n\n\n");

}



void Info::minimize_styles(FILE * out)

{

  fprintf(out, "\nMinimize styles:\n");



  vector<string> styles;

#define MINIMIZE_CLASS

#define MinimizeStyle(key,Class) styles.push_back(#key);

#include "style_minimize.h"

#undef MINIMIZE_CLASS

  print_columns(out, styles);

  fprintf(out, "\n\n\n");

}



void Info::pair_styles(FILE * out)

{

  fprintf(out, "\nPair styles:\n");



  vector<string> styles;

#define PAIR_CLASS

#define PairStyle(key,Class) styles.push_back(#key);

#include "style_pair.h"

#undef PAIR_CLASS

  print_columns(out, styles);

  fprintf(out, "\n\n\n");

}



void Info::bond_styles(FILE * out)

{

  fprintf(out, "\nBond styles:\n");



  vector<string> styles;

#define BOND_CLASS

#define BondStyle(key,Class) styles.push_back(#key);

#include "style_bond.h"

#undef BOND_CLASS

  print_columns(out, styles);

  fprintf(out, "\n\n\n");

}



void Info::angle_styles(FILE * out)

{

  fprintf(out, "\nAngle styles:\n");



  vector<string> styles;

#define ANGLE_CLASS

#define AngleStyle(key,Class) styles.push_back(#key);

#include "style_angle.h"

#undef ANGLE_CLASS

  print_columns(out, styles);

  fprintf(out, "\n\n\n");

}



void Info::dihedral_styles(FILE * out)

{

  fprintf(out, "\nDihedral styles:\n");



  vector<string> styles;

#define DIHEDRAL_CLASS

#define DihedralStyle(key,Class) styles.push_back(#key);

#include "style_dihedral.h"

#undef DIHEDRAL_CLASS

  print_columns(out, styles);

  fprintf(out, "\n\n\n");

}



void Info::improper_styles(FILE * out)

{

  fprintf(out, "\nImproper styles:\n");



  vector<string> styles;

#define IMPROPER_CLASS

#define ImproperStyle(key,Class) styles.push_back(#key);

#include "style_improper.h"

#undef IMPROPER_CLASS

  print_columns(out, styles);

  fprintf(out, "\n\n\n");

}



void Info::kspace_styles(FILE * out)

{

  fprintf(out, "\nKSpace styles:\n");



  vector<string> styles;

#define KSPACE_CLASS

#define KSpaceStyle(key,Class) styles.push_back(#key);

#include "style_kspace.h"

#undef KSPACE_CLASS

  print_columns(out, styles);

  fprintf(out, "\n\n\n");

}



void Info::fix_styles(FILE * out)

{

  fprintf(out, "\nFix styles:\n");



  vector<string> styles;

#define FIX_CLASS

#define FixStyle(key,Class) styles.push_back(#key);

#include "style_fix.h"

#undef FIX_CLASS

  print_columns(out, styles);

  fprintf(out, "\n\n\n");

}



void Info::compute_styles(FILE * out)

{

  fprintf(out, "\nCompute styles:\n");



  vector<string> styles;

#define COMPUTE_CLASS

#define ComputeStyle(key,Class) styles.push_back(#key);

#include "style_compute.h"

#undef COMPUTE_CLASS

  print_columns(out, styles);

  fprintf(out, "\n\n\n");

}



void Info::region_styles(FILE * out)

{

  fprintf(out, "\nRegion styles:\n");



  vector<string> styles;

#define REGION_CLASS

#define RegionStyle(key,Class) styles.push_back(#key);

#include "style_region.h"

#undef REGION_CLASS

  print_columns(out, styles);

  fprintf(out, "\n\n\n");

}



void Info::dump_styles(FILE * out)

{

  fprintf(out, "\nDump styles:\n");



  vector<string> styles;

#define DUMP_CLASS

#define DumpStyle(key,Class) styles.push_back(#key);

#include "style_dump.h"

#undef DUMP_CLASS

  print_columns(out, styles);

  fprintf(out, "\n\n\n");

}



void Info::command_styles(FILE * out)

{

  fprintf(out, "\nCommand styles (add-on input script commands):\n");



  vector<string> styles;

#define COMMAND_CLASS

#define CommandStyle(key,Class) styles.push_back(#key);

#include "style_command.h"

#undef COMMAND_CLASS

  print_columns(out, styles);

  fprintf(out, "\n\n\n");

}





/* ---------------------------------------------------------------------- */



// the is_active() function returns true if the selected style or name
@@ -681,3 +963,43 @@ bool Info::is_defined(const char *category, const char *name) 


  return false;

}



static void print_columns(FILE* fp, vector<string> & styles)

{

  if (styles.size() == 0) {

    fprintf(fp, "\nNone");

    return;

  }



  std::sort(styles.begin(), styles.end());



  int pos = 80;

  for (int i = 0; i < styles.size(); ++i) {



    // skip "secret" styles

    if (isupper(styles[i][0])) continue;



    int len = styles[i].length();

    if (pos + len > 80) {

      fprintf(fp,"\n");

      pos = 0;

    }



    if (len < 16) {

      fprintf(fp,"%-16s",styles[i].c_str());

      pos += 16;

    } else if (len < 32) {

      fprintf(fp,"%-32s",styles[i].c_str());

      pos += 32;

    } else if (len < 48) {

      fprintf(fp,"%-48s",styles[i].c_str());

      pos += 48;

    } else if (len < 64) {

      fprintf(fp,"%-64s",styles[i].c_str());

      pos += 64;

    } else {

      fprintf(fp,"%-80s",styles[i].c_str());

      pos += 80;

    }

  }

}

src/info.h

+18 −0
Original line number Diff line number Diff line
@@ -32,6 +32,24 @@ class Info : protected Pointers { 
  bool is_active(const char *, const char *);

  bool is_defined(const char *, const char *);

  bool is_available(const char *, const char *);



private:

  void available_styles(FILE * out, int flags);



  void atom_styles(FILE * out);

  void integrate_styles(FILE * out);

  void minimize_styles(FILE * out);

  void pair_styles(FILE * out);

  void bond_styles(FILE * out);

  void angle_styles(FILE * out);

  void dihedral_styles(FILE * out);

  void improper_styles(FILE * out);

  void kspace_styles(FILE * out);

  void fix_styles(FILE * out);

  void compute_styles(FILE * out);

  void region_styles(FILE * out);

  void dump_styles(FILE * out);

  void command_styles(FILE * out);

};



}

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