#include "readinp.h"
-#include <cstdio>
#include <cstdlib>
#include <cstring>
#include <algorithm>
-#include "gromacs/fileio/gmxfio.h"
#include "gromacs/fileio/warninp.h"
#include "gromacs/utility/binaryinformation.h"
#include "gromacs/utility/cstringutil.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/keyvaluetreebuilder.h"
+#include "gromacs/utility/niceheader.h"
#include "gromacs/utility/programcontext.h"
#include "gromacs/utility/qsort_threadsafe.h"
#include "gromacs/utility/smalloc.h"
#include "gromacs/utility/stringutil.h"
#include "gromacs/utility/textreader.h"
-#include "gromacs/utility/textstream.h"
+#include "gromacs/utility/textwriter.h"
t_inpfile *read_inpfile(gmx::TextInputStream *stream, const char *fn, int *ninp,
warninp_t wi)
gmx_qsort(inp, ninp, static_cast<size_t>(sizeof(inp[0])), inp_comp);
}
-void write_inpfile(const char *fn, int ninp, t_inpfile inp[], gmx_bool bHaltOnUnknown,
+void write_inpfile(gmx::TextOutputStream *stream, const char *fn, int ninp, t_inpfile inp[],
+ gmx_bool bHaltOnUnknown,
WriteMdpHeader writeHeader,
warninp_t wi)
{
- FILE *out;
- int i;
- char warn_buf[STRLEN];
+ using gmx::formatString;
sort_inp(ninp, inp);
- out = gmx_fio_fopen(fn, "w");
+
+ gmx::TextWriter writer(stream);
if (writeHeader == WriteMdpHeader::yes)
{
- nice_header(out, fn);
- try
- {
- gmx::BinaryInformationSettings settings;
- settings.generatedByHeader(true);
- settings.linePrefix(";\t");
- gmx::printBinaryInformation(out, gmx::getProgramContext(), settings);
- }
- GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
+ gmx::niceHeader(&writer, fn, ';');
+
+ gmx::BinaryInformationSettings settings;
+ settings.generatedByHeader(true);
+ settings.linePrefix(";\t");
+ gmx::printBinaryInformation(&writer, gmx::getProgramContext(), settings);
}
- for (i = 0; (i < ninp); i++)
+
+ for (int i = 0; (i < ninp); i++)
{
if (inp[i].bSet)
{
if (inp[i].name[0] == ';' || (strlen(inp[i].name) > 2 && inp[i].name[1] == ';'))
{
- fprintf(out, "%-24s\n", inp[i].name);
+ writer.writeLine(formatString("%-24s", inp[i].name));
}
else
{
- fprintf(out, "%-24s = %s\n", inp[i].name, inp[i].value ? inp[i].value : "");
+ writer.writeLine(formatString("%-24s = %s", inp[i].name, inp[i].value ? inp[i].value : ""));
}
}
else if (!inp[i].bObsolete)
{
- sprintf(warn_buf, "Unknown left-hand '%s' in parameter file\n",
- inp[i].name);
+ auto message = formatString("Unknown left-hand '%s' in parameter file\n",
+ inp[i].name);
if (bHaltOnUnknown)
{
- warning_error(wi, warn_buf);
+ warning_error(wi, message.c_str());
}
else
{
- warning(wi, warn_buf);
+ warning(wi, message.c_str());
}
}
}
- gmx_fio_fclose(out);
check_warning_error(wi, FARGS);
}
{
class KeyValueTreeObject;
class TextInputStream;
+class TextOutputStream;
}
typedef struct t_inpfile {
no, yes
};
-void write_inpfile(const char *fn, int ninp, t_inpfile inp[],
+/*! \brief Write "key = value" lines from \c inp to \c stream.
+ *
+ * \param[in] stream Text stream to write.
+ * \param[in] fn Filename corresponding to \c stream.
+ * \param[in] ninp Length of \c inp.
+ * \param[in] inp Array of key-value pairs.
+ * \param[in] bHaltOnUnknown Whether to issue a fatal error if an unknown key is found.
+ * \param[in] writeHeader Whether to write a header recording some context a user might like.
+ * \param[out] wi Handler for context-sensitive warnings.
+ * \throws std::bad_alloc If out of memory.
+ * \throws Anything the stream underlying \c writer can throw. */
+void write_inpfile(gmx::TextOutputStream *stream, const char *fn, int ninp, t_inpfile inp[],
gmx_bool bHaltOnUnknown,
WriteMdpHeader writeHeader,
warninp_t wi);
if (mpout != nullptr)
{
- write_inpfile(mpout, ninp, inp, TRUE, WriteMdpHeader::yes, wi);
+ gmx::TextOutputFile stream(mpout);
+ write_inpfile(&stream, mpout, ninp, inp, TRUE, WriteMdpHeader::yes, wi);
+ stream.close();
}
done_warning(wi, FARGS);
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/futil.h"
+#include "gromacs/utility/niceheader.h"
#include "gromacs/utility/path.h"
#include "gromacs/utility/programcontext.h"
#include "gromacs/utility/smalloc.h"
#include "gromacs/utility/strdb.h"
#include "gromacs/utility/stringutil.h"
+#include "gromacs/utility/textwriter.h"
/* this must correspond to enum in pdb2top.h */
const char *hh[ehisNR] = { "HISD", "HISE", "HISH", "HIS1" };
char ffdir_parent[STRLEN];
char *p;
- nice_header(out, filename);
- fprintf(out, ";\tThis is a %s topology file\n;\n", bITP ? "include" : "standalone");
try
{
+ gmx::TextWriter writer(out);
+ gmx::niceHeader(&writer, filename, ';');
+ writer.writeLine(gmx::formatString(";\tThis is a %s topology file", bITP ? "include" : "standalone"));
+ writer.writeLine(";");
+
gmx::BinaryInformationSettings settings;
settings.generatedByHeader(true);
settings.linePrefix(";\t");
- gmx::printBinaryInformation(out, gmx::getProgramContext(), settings);
+ gmx::printBinaryInformation(&writer, gmx::getProgramContext(), settings);
}
GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
RTYPE ("userreal4", ir->userreal4, 0);
#undef CTYPE
- write_inpfile(mdparout, ninp, inp, FALSE, writeMdpHeader, wi);
+ {
+ gmx::TextOutputFile stream(mdparout);
+ write_inpfile(&stream, mdparout, ninp, inp, FALSE, writeMdpHeader, wi);
+ stream.close();
+ }
+
for (i = 0; (i < ninp); i++)
{
sfree(inp[i].name);
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#include <cstring>
#include <algorithm>
+#include <string>
/* This file is completely threadsafe - keep it that way! */
#include "gromacs/utility/path.h"
#include "gromacs/utility/programcontext.h"
#include "gromacs/utility/stringutil.h"
+#include "gromacs/utility/textwriter.h"
#include "cuda_version_information.h"
namespace
{
+using gmx::formatString;
+
//! \cond Doxygen does not need to care about most of this stuff, and the macro usage is painful to document
int centeringOffset(int width, int length)
return std::max(width - length, 0) / 2;
}
-void printCentered(FILE *fp, int width, const char *text)
+std::string formatCentered(int width, const char *text)
{
const int offset = centeringOffset(width, std::strlen(text));
- fprintf(fp, "%*s%s", offset, "", text);
+ return formatString("%*s%s", offset, "", text);
}
-void printCopyright(FILE *fp)
+void printCopyright(gmx::TextWriter *writer)
{
static const char * const Contributors[] = {
"Emile Apol",
#define NLICENSE (int)asize(LicenseText)
#endif
- printCentered(fp, 78, "GROMACS is written by:");
- fprintf(fp, "\n");
+ // TODO a centering behaviour of TextWriter could be useful here
+ writer->writeLine(formatCentered(78, "GROMACS is written by:"));
for (int i = 0; i < NCONTRIBUTORS; )
{
for (int j = 0; j < 4 && i < NCONTRIBUTORS; ++j, ++i)
"Formatting buffer is not long enough");
std::fill(buf, buf+width, ' ');
std::strcpy(buf+offset, Contributors[i]);
- fprintf(fp, " %-*s", width, buf);
+ writer->writeString(formatString(" %-*s", width, buf));
}
- fprintf(fp, "\n");
+ writer->ensureLineBreak();
}
- printCentered(fp, 78, "and the project leaders:");
- fprintf(fp, "\n");
- printCentered(fp, 78, "Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel");
- fprintf(fp, "\n\n");
+ writer->writeLine(formatCentered(78, "and the project leaders:"));
+ writer->writeLine(formatCentered(78, "Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel"));
+ writer->ensureEmptyLine();
for (int i = 0; i < NCR; ++i)
{
- fprintf(fp, "%s\n", CopyrightText[i]);
+ writer->writeLine(CopyrightText[i]);
}
- fprintf(fp, "\n");
+ writer->ensureEmptyLine();
for (int i = 0; i < NLICENSE; ++i)
{
- fprintf(fp, "%s\n", LicenseText[i]);
+ writer->writeLine(LicenseText[i]);
}
}
#endif
};
-void gmx_print_version_info(FILE *fp)
+void gmx_print_version_info(gmx::TextWriter *writer)
{
- fprintf(fp, "GROMACS version: %s\n", gmx_version());
+ writer->writeLine(formatString("GROMACS version: %s", gmx_version()));
const char *const git_hash = gmx_version_git_full_hash();
if (git_hash[0] != '\0')
{
- fprintf(fp, "GIT SHA1 hash: %s\n", git_hash);
+ writer->writeLine(formatString("GIT SHA1 hash: %s", git_hash));
}
const char *const base_hash = gmx_version_git_central_base_hash();
if (base_hash[0] != '\0')
{
- fprintf(fp, "Branched from: %s\n", base_hash);
+ writer->writeLine(formatString("Branched from: %s", base_hash));
}
#if GMX_DOUBLE
- fprintf(fp, "Precision: double\n");
+ writer->writeLine("Precision: double");
#else
- fprintf(fp, "Precision: single\n");
+ writer->writeLine("Precision: single");
#endif
- fprintf(fp, "Memory model: %u bit\n", (unsigned)(8*sizeof(void *)));
+ writer->writeLine(formatString("Memory model: %u bit", (unsigned)(8*sizeof(void *))));
#if GMX_THREAD_MPI
- fprintf(fp, "MPI library: thread_mpi\n");
+ writer->writeLine("MPI library: thread_mpi");
#elif GMX_MPI
- fprintf(fp, "MPI library: MPI\n");
+ writer->writeLine("MPI library: MPI");
#else
- fprintf(fp, "MPI library: none\n");
+ writer->writeLine("MPI library: none");
#endif
#if GMX_OPENMP
- fprintf(fp, "OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = %d)\n", GMX_OPENMP_MAX_THREADS);
+ writer->writeLine(formatString("OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = %d)", GMX_OPENMP_MAX_THREADS));
#else
- fprintf(fp, "OpenMP support: disabled\n");
+ writer->writeLine("OpenMP support: disabled");
#endif
- fprintf(fp, "GPU support: %s\n", getGpuImplementationString());
- fprintf(fp, "SIMD instructions: %s\n", GMX_SIMD_STRING);
- fprintf(fp, "FFT library: %s\n", getFftDescriptionString());
+ writer->writeLine(formatString("GPU support: %s", getGpuImplementationString()));
+ writer->writeLine(formatString("SIMD instructions: %s", GMX_SIMD_STRING));
+ writer->writeLine(formatString("FFT library: %s", getFftDescriptionString()));
#ifdef HAVE_RDTSCP
- fprintf(fp, "RDTSCP usage: enabled\n");
+ writer->writeLine("RDTSCP usage: enabled");
#else
- fprintf(fp, "RDTSCP usage: disabled\n");
+ writer->writeLine("RDTSCP usage: disabled");
#endif
#ifdef GMX_USE_TNG
- fprintf(fp, "TNG support: enabled\n");
+ writer->writeLine("TNG support: enabled");
#else
- fprintf(fp, "TNG support: disabled\n");
+ writer->writeLine("TNG support: disabled");
#endif
#if GMX_HWLOC
- fprintf(fp, "Hwloc support: hwloc-%d.%d.%d\n",
- HWLOC_API_VERSION>>16,
- (HWLOC_API_VERSION>>8) & 0xFF,
- HWLOC_API_VERSION & 0xFF);
+ writer->writeLine(formatString("Hwloc support: hwloc-%d.%d.%d",
+ HWLOC_API_VERSION>>16,
+ (HWLOC_API_VERSION>>8) & 0xFF,
+ HWLOC_API_VERSION & 0xFF));
#else
- fprintf(fp, "Hwloc support: disabled\n");
+ writer->writeLine("Hwloc support: disabled");
#endif
#if HAVE_EXTRAE
unsigned major, minor, revision;
Extrae_get_version(&major, &minor, &revision);
- fprintf(fp, "Tracing support: enabled. Using Extrae-%d.%d.%d\n", major, minor, revision);
+ writer->writeLine(formatString("Tracing support: enabled. Using Extrae-%d.%d.%d", major, minor, revision));
#else
- fprintf(fp, "Tracing support: disabled\n");
+ writer->writeLine("Tracing support: disabled");
#endif
- fprintf(fp, "Built on: %s\n", BUILD_TIME);
- fprintf(fp, "Built by: %s\n", BUILD_USER);
- fprintf(fp, "Build OS/arch: %s\n", BUILD_HOST);
- fprintf(fp, "Build CPU vendor: %s\n", BUILD_CPU_VENDOR);
- fprintf(fp, "Build CPU brand: %s\n", BUILD_CPU_BRAND);
- fprintf(fp, "Build CPU family: %d Model: %d Stepping: %d\n",
- BUILD_CPU_FAMILY, BUILD_CPU_MODEL, BUILD_CPU_STEPPING);
+ writer->writeLine(formatString("Built on: %s", BUILD_TIME));
+ writer->writeLine(formatString("Built by: %s", BUILD_USER));
+ writer->writeLine(formatString("Build OS/arch: %s", BUILD_HOST));
+ writer->writeLine(formatString("Build CPU vendor: %s", BUILD_CPU_VENDOR));
+ writer->writeLine(formatString("Build CPU brand: %s", BUILD_CPU_BRAND));
+ writer->writeLine(formatString("Build CPU family: %d Model: %d Stepping: %d",
+ BUILD_CPU_FAMILY, BUILD_CPU_MODEL, BUILD_CPU_STEPPING));
/* TODO: The below strings can be quite long, so it would be nice to wrap
* them. Can wait for later, as the master branch has ready code to do all
* that. */
- fprintf(fp, "Build CPU features: %s\n", BUILD_CPU_FEATURES);
- fprintf(fp, "C compiler: %s\n", BUILD_C_COMPILER);
- fprintf(fp, "C compiler flags: %s\n", BUILD_CFLAGS);
- fprintf(fp, "C++ compiler: %s\n", BUILD_CXX_COMPILER);
- fprintf(fp, "C++ compiler flags: %s\n", BUILD_CXXFLAGS);
+ writer->writeLine(formatString("Build CPU features: %s", BUILD_CPU_FEATURES));
+ writer->writeLine(formatString("C compiler: %s", BUILD_C_COMPILER));
+ writer->writeLine(formatString("C compiler flags: %s", BUILD_CFLAGS));
+ writer->writeLine(formatString("C++ compiler: %s", BUILD_CXX_COMPILER));
+ writer->writeLine(formatString("C++ compiler flags: %s", BUILD_CXXFLAGS));
#ifdef HAVE_LIBMKL
/* MKL might be used for LAPACK/BLAS even if FFTs use FFTW, so keep it separate */
- fprintf(fp, "Linked with Intel MKL version %d.%d.%d.\n",
- __INTEL_MKL__, __INTEL_MKL_MINOR__, __INTEL_MKL_UPDATE__);
+ writer->writeLine(formatString("Linked with Intel MKL version %d.%d.%d.",
+ __INTEL_MKL__, __INTEL_MKL_MINOR__, __INTEL_MKL_UPDATE__));
#endif
#if GMX_GPU == GMX_GPU_OPENCL
- fprintf(fp, "OpenCL include dir: %s\n", OPENCL_INCLUDE_DIR);
- fprintf(fp, "OpenCL library: %s\n", OPENCL_LIBRARY);
- fprintf(fp, "OpenCL version: %s\n", OPENCL_VERSION_STRING);
+ writer->writeLine(formatString("OpenCL include dir: %s", OPENCL_INCLUDE_DIR));
+ writer->writeLine(formatString("OpenCL library: %s", OPENCL_LIBRARY));
+ writer->writeLine(formatString("OpenCL version: %s", OPENCL_VERSION_STRING));
#endif
#if GMX_GPU == GMX_GPU_CUDA
- gmx_print_version_info_cuda_gpu(fp);
+ writer->writeLine(formatString("CUDA compiler: %s\n", CUDA_NVCC_COMPILER_INFO));
+ writer->writeLine(formatString("CUDA compiler flags:%s\n", CUDA_NVCC_COMPILER_FLAGS));
+ auto driverVersion = gmx::getCudaDriverVersion();
+ writer->writeLine(formatString("CUDA driver: %d.%d\n", driverVersion.first, driverVersion.second));
+ auto runtimeVersion = gmx::getCudaRuntimeVersion();
+ writer->writeLine(formatString("CUDA runtime: %d.%d\n", runtimeVersion.first, runtimeVersion.second));
#endif
}
void printBinaryInformation(FILE *fp,
const IProgramContext &programContext)
{
- printBinaryInformation(fp, programContext, BinaryInformationSettings());
+ TextWriter writer(fp);
+ printBinaryInformation(&writer, programContext, BinaryInformationSettings());
}
void printBinaryInformation(FILE *fp,
const IProgramContext &programContext,
const BinaryInformationSettings &settings)
{
+ try
+ {
+ TextWriter writer(fp);
+ printBinaryInformation(&writer, programContext, settings);
+ }
+ GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
+}
+
+void printBinaryInformation(TextWriter *writer,
+ const IProgramContext &programContext,
+ const BinaryInformationSettings &settings)
+{
+ // TODO Perhaps the writer could be configured with the prefix and
+ // suffix strings from the settings?
const char *prefix = settings.prefix_;
const char *suffix = settings.suffix_;
const char *precisionString = "";
const char *const name = programContext.displayName();
if (settings.bGeneratedByHeader_)
{
- fprintf(fp, "%sCreated by:%s\n", prefix, suffix);
+ writer->writeLine(formatString("%sCreated by:%s", prefix, suffix));
}
// TODO: It would be nice to know here whether we are really running a
// Gromacs binary or some other binary that is calling Gromacs; we
= formatString(":-) GROMACS - %s, %s%s (-:", name, gmx_version(), precisionString);
const int indent
= centeringOffset(78 - std::strlen(prefix) - std::strlen(suffix), title.length()) + 1;
- fprintf(fp, "%s%*c%s%s\n", prefix, indent, ' ', title.c_str(), suffix);
- fprintf(fp, "%s%s\n", prefix, suffix);
+ writer->writeLine(formatString("%s%*c%s%s", prefix, indent, ' ', title.c_str(), suffix));
+ writer->writeLine(formatString("%s%s", prefix, suffix));
if (settings.bCopyright_)
{
GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
"Prefix/suffix not supported with copyright");
- printCopyright(fp);
- fprintf(fp, "\n");
+ printCopyright(writer);
+ writer->ensureEmptyLine();
// This line is printed again after the copyright notice to make it
// appear together with all the other information, so that it is not
// necessary to read stuff above the copyright notice.
// The line above the copyright notice puts the copyright notice is
// context, though.
- fprintf(fp, "%sGROMACS: %s, version %s%s%s\n", prefix, name,
- gmx_version(), precisionString, suffix);
+ writer->writeLine(formatString("%sGROMACS: %s, version %s%s%s", prefix, name,
+ gmx_version(), precisionString, suffix));
}
const char *const binaryPath = programContext.fullBinaryPath();
if (!gmx::isNullOrEmpty(binaryPath))
{
- fprintf(fp, "%sExecutable: %s%s\n", prefix, binaryPath, suffix);
+ writer->writeLine(formatString("%sExecutable: %s%s", prefix, binaryPath, suffix));
}
const gmx::InstallationPrefixInfo installPrefix = programContext.installationPrefix();
if (!gmx::isNullOrEmpty(installPrefix.path))
{
- fprintf(fp, "%sData prefix: %s%s%s\n", prefix, installPrefix.path,
- installPrefix.bSourceLayout ? " (source tree)" : "", suffix);
+ writer->writeLine(formatString("%sData prefix: %s%s%s", prefix, installPrefix.path,
+ installPrefix.bSourceLayout ? " (source tree)" : "", suffix));
}
const std::string workingDir = Path::getWorkingDirectory();
if (!workingDir.empty())
{
- fprintf(fp, "%sWorking dir: %s%s\n", prefix, workingDir.c_str(), suffix);
+ writer->writeLine(formatString("%sWorking dir: %s%s", prefix, workingDir.c_str(), suffix));
}
const char *const commandLine = programContext.commandLine();
if (!gmx::isNullOrEmpty(commandLine))
{
- fprintf(fp, "%sCommand line:%s\n%s %s%s\n",
- prefix, suffix, prefix, commandLine, suffix);
+ writer->writeLine(formatString("%sCommand line:%s\n%s %s%s",
+ prefix, suffix, prefix, commandLine, suffix));
}
if (settings.bExtendedInfo_)
{
GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
"Prefix/suffix not supported with extended info");
- fprintf(fp, "\n");
- gmx_print_version_info(fp);
+ writer->ensureEmptyLine();
+ gmx_print_version_info(writer);
}
}
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2017, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
{
class IProgramContext;
+class TextWriter;
/*! \libinternal \brief
* Settings for printBinaryInformation().
//! Needed to read the members without otherwise unnecessary accessors.
friend void printBinaryInformation(
- FILE *fp, const IProgramContext &programContext,
+ TextWriter *writer,
+ const IProgramContext &programContext,
const BinaryInformationSettings &settings);
};
const IProgramContext &programContext,
const BinaryInformationSettings &settings);
+/*! \brief
+ * Print basic information about the executable with custom settings.
+ *
+ * \param[out] writer Where to print the information.
+ * \param[in] programContext Program information object to use.
+ * \param[in] settings Specifies what to print.
+ * \throws std::bad_alloc if out of memory.
+ *
+ * \see BinaryInformationSettings
+ */
+void printBinaryInformation(TextWriter *writer,
+ const IProgramContext &programContext,
+ const BinaryInformationSettings &settings);
+
} // namespace gmx
#endif
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/futil.h"
#include "gromacs/utility/smalloc.h"
-#include "gromacs/utility/sysinfo.h"
//! Comment sign to use.
#define COMMENTSIGN ';'
rtrim (str);
}
-void nice_header(FILE *out, const char *fn)
-{
- int uid;
- char userbuf[256];
- char hostbuf[256];
- char timebuf[STRLEN];
-
- /* Print a nice header above the file */
- fprintf(out, "%c\n", COMMENTSIGN);
- fprintf(out, "%c\tFile '%s' was generated\n", COMMENTSIGN, fn ? fn : "unknown");
-
- uid = gmx_getuid();
- gmx_getusername(userbuf, 256);
- gmx_gethostname(hostbuf, 256);
- gmx_format_current_time(timebuf, STRLEN);
-
- fprintf(out, "%c\tBy user: %s (%d)\n", COMMENTSIGN, userbuf, uid);
- fprintf(out, "%c\tOn host: %s\n", COMMENTSIGN, hostbuf);
- fprintf(out, "%c\tAt date: %s\n", COMMENTSIGN, timebuf);
- fprintf(out, "%c\n", COMMENTSIGN);
-}
-
int gmx_strcasecmp_min(const char *str1, const char *str2)
{
char ch1, ch2;
/** Remove leading and trailing whitespace from a string. */
void trim(char *str);
-/** Prints creation time stamp and user information into a file as comments. */
-void nice_header(FILE *out, const char *fn);
-
/** Version of gmx_strcasecmp() that also ignores '-' and '_'. */
int gmx_strcasecmp_min(const char *str1, const char *str2);
/** Version of gmx_strncasecmp() that also ignores '-' and '_'. */
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2012,2013,2014,2015, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015,2017, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#include "cuda_version_information.h"
-#include <cstdio>
+#include <utility>
-#include "buildinfo.h"
+namespace gmx
+{
-void gmx_print_version_info_cuda_gpu(FILE *fp)
+std::pair<int, int> getCudaDriverVersion()
{
- int cuda_driver, cuda_runtime;
- fprintf(fp, "CUDA compiler: %s\n", CUDA_NVCC_COMPILER_INFO);
- fprintf(fp, "CUDA compiler flags:%s\n", CUDA_NVCC_COMPILER_FLAGS);
- cuda_driver = 0;
+ int cuda_driver;
cudaDriverGetVersion(&cuda_driver);
- cuda_runtime = 0;
+ return std::pair<int, int>(cuda_driver/1000, cuda_driver%100);
+}
+
+std::pair<int, int> getCudaRuntimeVersion()
+{
+ int cuda_runtime;
cudaRuntimeGetVersion(&cuda_runtime);
- fprintf(fp, "CUDA driver: %d.%d\n", cuda_driver/1000, cuda_driver%100);
- fprintf(fp, "CUDA runtime: %d.%d\n", cuda_runtime/1000, cuda_runtime%100);
+ return std::pair<int, int>(cuda_runtime/1000, cuda_runtime%100);
}
+
+} // namespace
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015, by the GROMACS development team, led by
+ * Copyright (c) 2015,2017, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifndef GMX_GMXLIB_CUDA_TOOLS_CUDA_VERSION_INFORMATION_H
-#define GMX_GMXLIB_CUDA_TOOLS_CUDA_VERSION_INFORMATION_H
+#ifndef GMX_UTILITY_CUDA_VERSION_INFORMATION_H
+#define GMX_UTILITY_CUDA_VERSION_INFORMATION_H
-#include <cstdio>
+#include <utility>
-void gmx_print_version_info_cuda_gpu(FILE *fp);
+namespace gmx
+{
+
+//! Returns a (major, minor) tuple of the CUDA driver version.
+std::pair<int, int> getCudaDriverVersion();
+
+//! Returns a (major, minor) tuple of the CUDA runtime version.
+std::pair<int, int> getCudaRuntimeVersion();
+
+} // namespace
#endif
--- /dev/null
+/*
+ * This file is part of the GROMACS molecular simulation package.
+ *
+ * Copyright (c) 2017, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
+ * and including many others, as listed in the AUTHORS file in the
+ * top-level source directory and at http://www.gromacs.org.
+ *
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
+ *
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
+ *
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+ *
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*! \internal \file
+ * \brief
+ * Implements functions from niceheader.h.
+ *
+ * \author Mark Abraham <mark.j.abraham@gmail.com>
+ * \ingroup module_utility
+ */
+#include "gmxpre.h"
+
+#include "niceheader.h"
+
+#include "gromacs/utility/stringutil.h"
+#include "gromacs/utility/sysinfo.h"
+#include "gromacs/utility/textwriter.h"
+
+namespace gmx
+{
+
+void niceHeader(TextWriter *writer, const char *fn, char commentChar)
+{
+ int uid;
+ char userbuf[256];
+ char hostbuf[256];
+ char timebuf[256];
+
+ /* Write a nice header for an output file */
+ writer->writeLine(formatString("%c", commentChar));
+ writer->writeLine(formatString("%c\tFile '%s' was generated", commentChar, fn ? fn : "unknown"));
+
+ uid = gmx_getuid();
+ gmx_getusername(userbuf, 256);
+ gmx_gethostname(hostbuf, 256);
+ gmx_format_current_time(timebuf, 256);
+
+ writer->writeLine(formatString("%c\tBy user: %s (%d)", commentChar, userbuf, uid));
+ writer->writeLine(formatString("%c\tOn host: %s", commentChar, hostbuf));
+ writer->writeLine(formatString("%c\tAt date: %s", commentChar, timebuf));
+ writer->writeLine(formatString("%c", commentChar));
+}
+
+} // namespace
--- /dev/null
+/*
+ * This file is part of the GROMACS molecular simulation package.
+ *
+ * Copyright (c) 2017, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
+ * and including many others, as listed in the AUTHORS file in the
+ * top-level source directory and at http://www.gromacs.org.
+ *
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
+ *
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
+ *
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+ *
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
+ *
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*! \libinternal \file
+ * \brief
+ * Declares function for printing a nice header for text output files.
+ *
+ * \author Mark Abraham <mark.j.abraham@gmail.com>
+ * \inlibraryapi
+ * \ingroup module_utility
+ */
+#ifndef GMX_UTILITY_NICEHEADER_H
+#define GMX_UTILITY_NICEHEADER_H
+
+namespace gmx
+{
+
+class TextWriter;
+
+/*! \brief
+ * Prints creation time stamp and user information into a string as comments, and returns it.
+ *
+ * \param[out] writer Where to print the information.
+ * \param[in] fn Name of the file being written; if nullptr, described as "unknown".
+ * \param[in] commentChar Character to use as the starting delimiter for comments.
+ * \throws std::bad_alloc if out of memory. */
+void niceHeader(TextWriter *writer, const char *fn, char commentChar);
+
+} // namespace
+
+#endif
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014, by the GROMACS development team, led by
+ * Copyright (c) 2014,2017, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*/
/*! \libinternal \file
* \brief
- * Declares functions for obtaining information about the operating environment
- * and the current process.
+ * Declares functions that wrap platform-specific calls for obtaining
+ * information about the operating environment and the current
+ * process.
*
* \author Teemu Murtola <teemu.murtola@gmail.com>
* \inlibraryapi
#include <stddef.h>
#include <time.h>
-#ifdef __cplusplus
-extern "C" {
-#endif
-
/*! \addtogroup module_utility
* \{
*/
/*! \} */
-#ifdef __cplusplus
-}
-#endif
-
#endif
wi = init_warning(TRUE, 0);
- gmx::TextInputFile stream(membed_input);
- inp = read_inpfile(&stream, membed_input, &ninp, wi);
-
+ {
+ gmx::TextInputFile stream(membed_input);
+ inp = read_inpfile(&stream, membed_input, &ninp, wi);
+ stream.close();
+ }
ITYPE ("nxy", *it_xy, 1000);
ITYPE ("nz", *it_z, 0);
RTYPE ("xyinit", *xy_fac, 0.5);
ITYPE ("maxwarn", *maxwarn, 0);
ITYPE ("pieces", *pieces, 1);
EETYPE("asymmetry", *bALLOW_ASYMMETRY, yesno_names);
+
check_warning_error(wi, FARGS);
- write_inpfile(membed_input, ninp, inp, FALSE, WriteMdpHeader::yes, wi);
+ {
+ gmx::TextOutputFile stream(membed_input);
+ write_inpfile(&stream, membed_input, ninp, inp, FALSE, WriteMdpHeader::yes, wi);
+ stream.close();
+ }
done_warning(wi, FARGS);
}
biod.pnpi.spb.ru / alexxy / gromacs.git / commitdiff