src/gromacs/fileio/readinp.h

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  38 #ifndef GMX_FILEIO_READINP_H
  39 #define GMX_FILEIO_READINP_H
  40
  41 #include <cstring>
  42
  43 #include <string>
  44 #include <utility>
  45 #include <vector>
  46
  47 #include "gromacs/utility/basedefinitions.h"
  48
  49 struct warninp;
  50 typedef warninp* warninp_t;
  51
  52 namespace gmx
  53 {
  54 template<typename>
  55 class ArrayRef;
  56 class KeyValueTreeObject;
  57 class TextInputStream;
  58 class TextOutputStream;
  59 } // namespace gmx
  60
  61 /* !\brief Input file structure that is populated with entries read from a file.
  62  *
  63  * This structure contains the information read from the mdp file that is later used
  64  * to build the ir from it. It is first constructed with a set of names and values,
  65  * and later populated when checking against the available options in readir.
  66  * Uses the functions below to both check entries and set the information.
  67  */
  68 struct t_inpfile
  69 {
  70     /*!\brief Minimum allowed constructor sets all elements */
  71     t_inpfile(int         count,
  72               int         inp_count,
  73               bool        bObsolete,
  74               bool        bSet,
  75               bool        bHandledAsKeyValueTree,
  76               std::string name,
  77               std::string value) :
  78         count_(count),
  79         bObsolete_(bObsolete),
  80         bSet_(bSet),
  81         bHandledAsKeyValueTree_(bHandledAsKeyValueTree),
  82         name_(std::move(name)),
  83         value_(std::move(value)),
  84         inp_count_(inp_count)
  85     {
  86     }
  87     int  count_;                  /* sort order for output  */
  88     bool bObsolete_;              /* whether it is an obsolete param value */
  89     bool bSet_;                   /* whether it it has been read out */
  90     bool bHandledAsKeyValueTree_; /* whether it it has been handled with key-value machinery */
  91     std::string name_;            /* name of the parameter */
  92     std::string value_;           /* parameter value string */
  93     int         inp_count_;       /* number of einps read. Only valid for the first item
  94                                                           in the inpfile list. */
  95 };
  96
  97 /*! \brief Create and return a vector of t_inpfile structs
  98  * from "key = value" lines in \c stream corresponding to file \c fn.
  99  *
 100  * \param[in]  stream          Text stream to read.
 101  * \param[in]  fn              Filename corresponding to \c reader.
 102  * \param[out] wi              Handler for context-sensitive warnings.
 103  * \throws     std::bad_alloc  If out of memory.
 104  * \throws     Anything the stream underlying \c reader can throw. */
 105 std::vector<t_inpfile> read_inpfile(gmx::TextInputStream* stream, const char* fn, warninp_t wi);
 106
 107 gmx::KeyValueTreeObject flatKeyValueTreeFromInpFile(gmx::ArrayRef<const t_inpfile> inp);
 108
 109 enum class WriteMdpHeader
 110 {
 111     no,
 112     yes
 113 };
 114
 115 /*! \brief Write "key = value" lines from \c inp to \c stream.
 116  *
 117  * \param[in]  stream          Text stream to write.
 118  * \param[in]  fn              Filename corresponding to \c stream.
 119  * \param[in]  inp             vector of key-value pairs.
 120  * \param[in]  bHaltOnUnknown  Whether to issue a fatal error if an unknown key is found.
 121  * \param[in]  writeHeader     Whether to write a header recording some context a user might like.
 122  * \param[out] wi              Handler for context-sensitive warnings.
 123  * \throws     std::bad_alloc  If out of memory.
 124  * \throws     Anything the stream underlying \c writer can throw. */
 125 void write_inpfile(gmx::TextOutputStream*  stream,
 126                    const char*             fn,
 127                    std::vector<t_inpfile>* inp,
 128                    gmx_bool                bHaltOnUnknown,
 129                    WriteMdpHeader          writeHeader,
 130                    warninp_t               wi);
 131 /* Write inp to fn, warning (and perhaps halting) if any fields are
 132  * unknown. The helpful header contains irreproducible content, so
 133  * its writing can be suppressed to make testing more useful. */
 134
 135 void replace_inp_entry(gmx::ArrayRef<t_inpfile> inp, const char* old_entry, const char* new_entry);
 136
 137 int search_einp(gmx::ArrayRef<const t_inpfile> inp, const char* name);
 138 /* Return the index of an .mdp field with the given name within the
 139  * inp vector, if it exists. Return -1 if it does not exist. */
 140
 141 void mark_einp_set(gmx::ArrayRef<t_inpfile> inp, const char* name);
 142
 143 int get_eint(std::vector<t_inpfile>* inp, const char* name, int def, warninp_t wi);
 144 int get_eint(std::vector<t_inpfile>* inp, const std::string& name, int def, warninp_t wi);
 145
 146 int64_t get_eint64(std::vector<t_inpfile>* inp, const char* name, int64_t def, warninp_t wi);
 147 int64_t get_eint64(std::vector<t_inpfile>* inp, const std::string& name, int64_t def, warninp_t wi);
 148
 149 double get_ereal(std::vector<t_inpfile>* inp, const char* name, double def, warninp_t wi);
 150 double get_ereal(std::vector<t_inpfile>* inp, const std::string& name, double def, warninp_t wi);
 151
 152 const char* get_estr(std::vector<t_inpfile>* inp, const char* name, const char* def);
 153 const char* get_estr(std::vector<t_inpfile>* inp, const std::string& name, const char* def);
 154
 155 int get_eeenum(std::vector<t_inpfile>* inp, const char* name, const char** defs, warninp_t wi);
 156 /* defs must be NULL terminated */
 157 int get_eeenum(std::vector<t_inpfile>* inp, const std::string& name, const char** defs, warninp_t wi);
 158 /* defs must be NULL terminated */
 159
 160 int get_eenum(std::vector<t_inpfile>* inp, const char* name, const char** defs);
 161 /* defs must be NULL terminated */
 162
 163 //! Replace for macro CCTYPE, prints comment string after newline
 164 void printStringNewline(std::vector<t_inpfile>* inp, const char* line);
 165 //! Replace for macro CTYPE, prints comment string
 166 void printStringNoNewline(std::vector<t_inpfile>* inp, const char* line);
 167 //! Replace for macro STYPE, checks for existing string entry and if possible replaces it
 168 void setStringEntry(std::vector<t_inpfile>* inp, const char* name, char* newName, const char* def);
 169
 170 /*! \brief
 171  * Returns a string value and sets the value in \p inp
 172  *
 173  * The value is either from \p inp when \p name is found or \p def otherwise.
 174  *
 175  * \note this is a wrapper function for g_estr()
 176  */
 177 std::string setStringEntry(std::vector<t_inpfile>* inp, const std::string& name, const std::string& def);
 178
 179 #endif