src/gromacs/tools/report-methods.h

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  35 #ifndef GMX_TOOLS_REPORT_METHODS_H
  36 #define GMX_TOOLS_REPORT_METHODS_H
  37
  38 #include "gromacs/commandline/cmdlineoptionsmodule.h"
  39 #include "gromacs/mdtypes/inputrec.h"
  40 #include "gromacs/topology/topology.h"
  41 #include "gromacs/utility/filestream.h"
  42 #include "gromacs/utility/textwriter.h"
  43
  44 namespace gmx
  45 {
  46
  47 class ReportMethodsInfo
  48 {
  49     public:
  50         static const char name[];
  51         static const char shortDescription[];
  52         static ICommandLineOptionsModulePointer create();
  53 };
  54
  55 // Helper functions of the class
  56
  57 /*! \brief
  58  * Write appropiate Header to output stream.
  59  *
  60  * \param[in] writer TextWriter object for writing information.
  61  * \param[in] text String with the header before writing.
  62  * \param[in] section String with section text for header.
  63  * \param[in] writeFormattedText If we need to format the text for LaTeX output or not
  64  */
  65 void writeHeader(TextWriter *writer, const std::string &text, const std::string &section, bool writeFormattedText);
  66
  67 /*! \brief
  68  * Write information about the molecules in the system.
  69  *
  70  * This method should write all possible information about
  71  * the molecular composition of the system.
  72  *
  73  * \param[in] writer TextWriter object for writing information.
  74  * \param[in] top Local topology used to derive the information to write out.
  75  * \param[in] writeFormattedText Decide if we want formatted text output or not.
  76  *
  77  */
  78 void writeSystemInformation(TextWriter *writer, const gmx_mtop_t &top, bool writeFormattedText);
  79
  80 /*! \brief
  81  * Write information about system parameters.
  82  *
  83  * This method writes the basic information for the system parameters
  84  * and simulation settings as reported in the \p ir.
  85  *
  86  * \param[in] writer TextWriter object for writing information.
  87  * \param[in] ir Reference to inputrec of the run input.
  88  * \param[in] writeFormattedText Decide if we want formatted text output or not.
  89  */
  90 void writeParameterInformation(TextWriter *writer, const t_inputrec &ir, bool writeFormattedText);
  91
  92 /*! \brief
  93  * Wrapper for writing out information.
  94  *
  95  * This function is actual called from within the run method
  96  * to write the information to the terminal or to file.
  97  * New write out methods should be added to it instead of adding them in run.
  98  *
  99  * \param[in] outputStream The filestream used to write the information to.
 100  * \param[in] ir Reference to inputrec of the run input.
 101  * \param[in] top Local topology used to derive the information to write out.
 102  * \param[in] writeFormattedText Decide if we want formatted text output or not.
 103  * \param[in] notStdout Bool to see if we can close the file after writing or not in case of stdout.
 104  */
 105 void writeInformation(TextOutputFile *outputStream, const t_inputrec &ir,
 106                       const gmx_mtop_t &top, bool writeFormattedText, bool notStdout);
 107
 108 } // namespace gmx
 109
 110 #endif