From 06e3a11c2dd52dc7935027b28086fda9f8f63a25 Mon Sep 17 00:00:00 2001
From: Richard Berger <richard.berger@temple.edu>
Date: Wed, 7 Sep 2016 14:28:32 -0400
Subject: [PATCH] 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
```
---
src/info.cpp | 332 ++++++++++++++++++++++++++++++++++++++++++++++++++-
src/info.h | 18 +++
2 files changed, 345 insertions(+), 5 deletions(-)
diff --git a/src/info.cpp b/src/info.cpp
index a791becf0e..0e8136278d 100644
--- a/src/info.cpp
+++ b/src/info.cpp
@@ -1,4 +1,5 @@
/* ----------------------------------------------------------------------
+ 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;
+ }
+ }
+}
diff --git a/src/info.h b/src/info.h
index 4a7388d186..f4549badf7 100644
--- a/src/info.h
+++ b/src/info.h
@@ -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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