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38 #ifndef GMX_FILEIO_READINP_H
39 #define GMX_FILEIO_READINP_H
47 #include "gromacs/utility/arrayref.h"
48 #include "gromacs/utility/basedefinitions.h"
51 typedef warninp* warninp_t;
55 class KeyValueTreeObject;
56 class TextInputStream;
57 class TextOutputStream;
60 /* !\brief Input file structure that is populated with entries read from a file.
62 * This structure contains the information read from the mdp file that is later used
63 * to build the ir from it. It is first constructed with a set of names and values,
64 * and later populated when checking against the available options in readir.
65 * Uses the functions below to both check entries and set the information.
69 /*!\brief Minimum allowed constructor sets all elements */
74 bool bHandledAsKeyValueTree,
78 bObsolete_(bObsolete),
80 bHandledAsKeyValueTree_(bHandledAsKeyValueTree),
81 name_(std::move(name)),
82 value_(std::move(value)),
86 int count_; /* sort order for output */
87 bool bObsolete_; /* whether it is an obsolete param value */
88 bool bSet_; /* whether it it has been read out */
89 bool bHandledAsKeyValueTree_; /* whether it it has been handled with key-value machinery */
90 std::string name_; /* name of the parameter */
91 std::string value_; /* parameter value string */
92 int inp_count_; /* number of einps read. Only valid for the first item
93 in the inpfile list. */
96 /*! \brief Create and return a vector of t_inpfile structs
97 * from "key = value" lines in \c stream corresponding to file \c fn.
99 * \param[in] stream Text stream to read.
100 * \param[in] fn Filename corresponding to \c reader.
101 * \param[out] wi Handler for context-sensitive warnings.
102 * \throws std::bad_alloc If out of memory.
103 * \throws Anything the stream underlying \c reader can throw. */
104 std::vector<t_inpfile> read_inpfile(gmx::TextInputStream* stream, const char* fn, warninp_t wi);
106 gmx::KeyValueTreeObject flatKeyValueTreeFromInpFile(gmx::ArrayRef<const t_inpfile> inp);
108 enum class WriteMdpHeader
114 /*! \brief Write "key = value" lines from \c inp to \c stream.
116 * \param[in] stream Text stream to write.
117 * \param[in] fn Filename corresponding to \c stream.
118 * \param[in] inp vector of key-value pairs.
119 * \param[in] bHaltOnUnknown Whether to issue a fatal error if an unknown key is found.
120 * \param[in] writeHeader Whether to write a header recording some context a user might like.
121 * \param[out] wi Handler for context-sensitive warnings.
122 * \throws std::bad_alloc If out of memory.
123 * \throws Anything the stream underlying \c writer can throw. */
124 void write_inpfile(gmx::TextOutputStream* stream,
126 std::vector<t_inpfile>* inp,
127 gmx_bool bHaltOnUnknown,
128 WriteMdpHeader writeHeader,
130 /* Write inp to fn, warning (and perhaps halting) if any fields are
131 * unknown. The helpful header contains irreproducible content, so
132 * its writing can be suppressed to make testing more useful. */
134 void replace_inp_entry(gmx::ArrayRef<t_inpfile> inp, const char* old_entry, const char* new_entry);
136 int search_einp(gmx::ArrayRef<const t_inpfile> inp, const char* name);
137 /* Return the index of an .mdp field with the given name within the
138 * inp vector, if it exists. Return -1 if it does not exist. */
140 void mark_einp_set(gmx::ArrayRef<t_inpfile> inp, const char* name);
142 int get_eint(std::vector<t_inpfile>* inp, const char* name, int def, warninp_t wi);
143 int get_eint(std::vector<t_inpfile>* inp, const std::string& name, int def, warninp_t wi);
145 int64_t get_eint64(std::vector<t_inpfile>* inp, const char* name, int64_t def, warninp_t wi);
146 int64_t get_eint64(std::vector<t_inpfile>* inp, const std::string& name, int64_t def, warninp_t wi);
148 double get_ereal(std::vector<t_inpfile>* inp, const char* name, double def, warninp_t wi);
149 double get_ereal(std::vector<t_inpfile>* inp, const std::string& name, double def, warninp_t wi);
151 const char* get_estr(std::vector<t_inpfile>* inp, const char* name, const char* def);
152 const char* get_estr(std::vector<t_inpfile>* inp, const std::string& name, const char* def);
154 int get_eeenum(std::vector<t_inpfile>* inp, const char* name, const char** defs, warninp_t wi);
155 /* defs must be NULL terminated */
156 int get_eeenum(std::vector<t_inpfile>* inp, const std::string& name, const char** defs, warninp_t wi);
157 /* defs must be NULL terminated */
159 int get_eenum(std::vector<t_inpfile>* inp, const char* name, const char** defs);
160 /* defs must be NULL terminated */
162 //! Replace for macro CCTYPE, prints comment string after newline
163 void printStringNewline(std::vector<t_inpfile>* inp, const char* line);
164 //! Replace for macro CTYPE, prints comment string
165 void printStringNoNewline(std::vector<t_inpfile>* inp, const char* line);
166 //! Replace for macro STYPE, checks for existing string entry and if possible replaces it
167 void setStringEntry(std::vector<t_inpfile>* inp, const char* name, char* newName, const char* def);