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36 * \brief API for handling parameters used in selections.
38 * There should be no need to use the data structures or call the
39 * functions in this file directly unless implementing a custom selection
42 * More details can be found on the page discussing
43 * \ref page_module_selection_custom "custom selection methods".
45 * \author Teemu Murtola <teemu.murtola@gmail.com>
46 * \ingroup module_selection
48 #ifndef GMX_SELECTION_SELPARAM_H
49 #define GMX_SELECTION_SELPARAM_H
51 #include "indexutil.h"
54 /*! \name Parameter flags
55 * \anchor selparam_flags
59 * This flag is set if the user has provided the parameter.
61 * This flag is set automatically, and should not be set by the user.
65 * If not set, an error is reported if the parameter is not specified by the
68 #define SPAR_OPTIONAL 2
70 * If set, the parameter value can be dynamic, i.e., be different for
73 * If set, the parameter value should only be accessed in the update function
74 * of \c gmx_ana_selmethod_t.
75 * The flag is cleared before sel_initfunc() if the value provided is actually
78 #define SPAR_DYNAMIC 4
80 * If set, the parameter value is parsed into sorted ranges.
82 * Can only be specified for integer parameters.
83 * If specified, the value of the parameter (\c gmx_ana_selparam_t::val)
84 * consists of sets of two integers, each specifying a range.
85 * The values give the endpoints of the ranges (inclusive).
86 * The ranges are sorted and overlapping/continuous ranges are merged into
87 * a single range to minimize the number of ranges.
89 * If this flag is specified, \c gmx_ana_selparam_t::nval gives the number of
90 * ranges. \p gmx_ana_selparam_t::nval should be 1 or \ref SPAR_VARNUM should be
91 * specified; other values would lead to unpredictable behavior.
95 * If set, the parameter can have any number of values.
97 * If specified, the data pointer in \c gmx_ana_selparam_t::val should be NULL;
98 * the memory is allocated by the parameter parser.
99 * The implementation of the method should ensure that the pointer to the
100 * allocated memory is stored somewhere in sel_initfunc();
101 * otherwise, the memory is lost.
103 * The initial value of \c gmx_ana_selparam_t::nval is not used with this flag.
104 * Instead, it will give the number of actual values provided by the user
105 * after the parameters have been parsed.
106 * For consistency, it should be initialized to -1.
108 * Cannot be combined with \ref GROUP_VALUE parameters.
110 #define SPAR_VARNUM 16
112 * If set, the parameter can have a separate value for each atom.
114 * The flag is cleared before sel_initfunc() if the value provided is actually
117 * Cannot be combined with \ref POS_VALUE or \ref GROUP_VALUE parameters.
119 #define SPAR_ATOMVAL 32
121 * If set, the parameter takes one of a set of predefined strings.
123 * Can only be specified for a \ref STR_VALUE parameter that takes a single
125 * The data pointer in \c gmx_ana_selparam_t::val should be initialized into an
126 * array of strings such that the first and last elements are NULL, and the
127 * rest give the possible values. For optional values, the second element in
128 * the array should give the default value. The string given by the user is
129 * matched against the beginnings of the given strings, and if a unique match
130 * is found, the first pointer in the array will be initialized to point to
131 * the matching string.
132 * The data pointer can be initialized as a static array; duplication of the
133 * array for multiple instances of the same method is automatically taken care
136 #define SPAR_ENUMVAL 128
140 * Describes a single parameter for a selection method.
142 typedef struct gmx_ana_selparam_t
144 /** Name of the parameter. */
147 * The parameter value.
149 * Type \ref NO_VALUE can be used to define a boolean parameter.
150 * The number of values should be 0 for boolean parameters.
152 * The value pointer be initialized to NULL in the definition of a
153 * \c gmx_ana_selmethod_t and initialized in the
154 * \c gmx_ana_selmethod_t::init_data call
155 * (see sel_datafunc()).
156 * However, if \ref SPAR_VARNUM is provided and the parameter is not
157 * \ref POS_VALUE, this field should not be initialized. Instead,
158 * sufficient memory is allocated automatically and the pointer should be
159 * stored in \c gmx_ana_selmethod_t::init
160 * (see sel_initfunc()).
162 * The values cannot be accessed outside these two functions: the compiler
163 * makes a copy of the parameter structure for each instance of the
164 * method, and the original parameter array is not changed.
166 gmx_ana_selvalue_t val;
168 * Pointer to store the number of values.
170 * If not NULL, the number of values for the parameter is stored in the
172 * Should be specified if \ref SPAR_VARNUM and \ref SPAR_DYNAMIC are both
175 * Should be initialized to NULL in the definition a \c gmx_ana_selmethod_t
176 * and initialized in sel_datafunc().
180 * Flags that alter the way the parameter is parsed/handled.
182 * See \ref selparam_flags for allowed values.
185 } gmx_ana_selparam_t;
187 /** Finds a parameter from an array by name. */
189 gmx_ana_selparam_find(const char *name, int nparam, gmx_ana_selparam_t *param);