/*
 * This file is part of the GROMACS molecular simulation package.
 *
 * Copyright 2009- The GROMACS Authors
 * and the project initiators Erik Lindahl, Berk Hess and David van der Spoel.
 * Consult the AUTHORS/COPYING files and https://www.gromacs.org for details.
 *
 * 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,
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 * 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
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 * https://www.gnu.org/licenses, or write to the Free Software Foundation,
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 */
/*! \internal \file
 * \brief
 * Implements functions in selmethod.h.
 *
 * \author Teemu Murtola <teemu.murtola@gmail.com>
 * \ingroup module_selection
 */
#include "gmxpre.h"

#include "selmethod.h"

#include <cctype>
#include <cstdarg>
#include <cstdio>

#include <string>

#include "gromacs/selection/selparam.h"
#include "gromacs/selection/selvalue.h"
#include "gromacs/utility/arraysize.h"
#include "gromacs/utility/cstringutil.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/stringutil.h"

#include "selmethod_impl.h"
#include "symrec.h"

/*! \internal \brief
 * Helper structure for defining selection methods.
 */
typedef struct
{
    /*! \brief
     * Name to register the method under.
     *
     * If NULL, use the actual name of the method.
     * This field is used for defining synonyms.
     */
    const char* name;
    /** Method data structure to register. */
    gmx_ana_selmethod_t* method;
} t_register_method;

/*! \brief
 * Convenience function for reporting errors found in selection methods.
 */
static void report_error(FILE* fp, const char* name, gmx_fmtstr const char* fmt, ...)
        gmx_format(printf, 3, 4);

static void report_error(FILE* fp, const char* name, gmx_fmtstr const char* fmt, ...)
{
    std::va_list ap;
    va_start(ap, fmt);
    if (fp)
    {
        fprintf(fp, "selection method '%s': ", name);
        vfprintf(fp, fmt, ap);
        fprintf(fp, "\n");
    }
    va_end(ap);
}

/*! \brief
 * Convenience function for reporting errors found in selection method parameters.
 */
static void report_param_error(FILE* fp, const char* mname, const char* pname, gmx_fmtstr const char* fmt, ...)
        gmx_format(printf, 4, 5);
static void report_param_error(FILE* fp, const char* mname, const char* pname, gmx_fmtstr const char* fmt, ...)
{
    std::va_list ap;
    va_start(ap, fmt);
    if (fp)
    {
        fprintf(fp, "selection method '%s': parameter '%s': ", mname, pname);
        vfprintf(fp, fmt, ap);
        fprintf(fp, "\n");
    }
    va_end(ap);
}

/*! \brief
 * Checks the validity of parameters.
 *
 * \param[in]     fp      File handle to use for diagnostic messages
 *   (can be NULL).
 * \param[in]     name    Name of the method (used for error messages).
 * \param[in]     nparams Number of parameters in \p param.
 * \param[in,out] params   Parameter array
 *   (only the \c flags field of boolean parameters may be modified).
 * \param[in]     symtab  Symbol table (used for checking overlaps).
 * \returns       true if there are no problems with the parameters,
 *   false otherwise.
 *
 * This function performs some checks common to both check_method() and
 * check_modifier().
 * The purpose of these checks is to ensure that the selection parser does not
 * need to check for the validity of the parameters at each turn, and to
 * report programming errors as early as possible.
 * If you remove a check, make sure that the parameter parser can handle the
 * resulting parameters.
 */
static bool check_params(FILE*                                  fp,
                         const char*                            name,
                         int                                    nparams,
                         gmx_ana_selparam_t                     params[],
                         const gmx::SelectionParserSymbolTable& symtab)
{
    bool bOk = true;
    int  i, j;

    if (nparams > 0 && !params)
    {
        report_error(fp, name, "error: missing parameter data");
        return false;
    }
    if (nparams == 0 && params)
    {
        report_error(fp, name, "warning: parameter data unused because nparams=0");
    }
    /* Check each parameter */
    for (i = 0; i < nparams; ++i)
    {
        /* Check that there is at most one NULL name, in the beginning */
        if (params[i].name == nullptr && i > 0)
        {
            report_error(fp, name, "error: NULL parameter should be the first one");
            bOk = false;
            continue;
        }
        /* Check for duplicates */
        for (j = 0; j < i; ++j)
        {
            if (params[j].name == nullptr)
            {
                continue;
            }
            if (!gmx_strcasecmp(params[i].name, params[j].name))
            {
                report_error(fp, name, "error: duplicate parameter name '%s'", params[i].name);
                bOk = false;
                break;
            }
        }
        /* Check flags */
        if (params[i].flags & SPAR_SET)
        {
            report_param_error(fp, name, params[i].name, "warning: flag SPAR_SET is set");
            params[i].flags &= ~SPAR_SET;
        }
        if (params[i].flags & SPAR_RANGES)
        {
            if (params[i].val.type != INT_VALUE && params[i].val.type != REAL_VALUE)
            {
                report_param_error(fp,
                                   name,
                                   params[i].name,
                                   "error: SPAR_RANGES cannot be set for a non-numeric parameter");
                bOk = false;
            }
            if (params[i].flags & SPAR_DYNAMIC)
            {
                report_param_error(fp,
                                   name,
                                   params[i].name,
                                   "warning: SPAR_DYNAMIC does not have effect with SPAR_RANGES");
                params[i].flags &= ~SPAR_DYNAMIC;
            }
            if (!(params[i].flags & SPAR_VARNUM) && params[i].val.nr != 1)
            {
                report_param_error(
                        fp,
                        name,
                        params[i].name,
                        "error: range should take either one or an arbitrary number of values");
                bOk = false;
            }
            if (params[i].flags & SPAR_ATOMVAL)
            {
                report_param_error(
                        fp, name, params[i].name, "error: SPAR_RANGES and SPAR_ATOMVAL both set");
                bOk = false;
            }
        }
        if ((params[i].flags & SPAR_VARNUM) && (params[i].flags & SPAR_ATOMVAL))
        {
            report_param_error(
                    fp, name, params[i].name, "error: SPAR_VARNUM and SPAR_ATOMVAL both set");
            bOk = false;
        }
        if (params[i].flags & SPAR_ENUMVAL)
        {
            if (params[i].val.type != STR_VALUE)
            {
                report_param_error(fp,
                                   name,
                                   params[i].name,
                                   "error: SPAR_ENUMVAL can only be set for string parameters");
                bOk = false;
            }
            if (params[i].val.nr != 1)
            {
                report_param_error(fp,
                                   name,
                                   params[i].name,
                                   "error: SPAR_ENUMVAL parameters should take exactly one value");
                bOk = false;
            }
            if (params[i].flags & (SPAR_DYNAMIC | SPAR_VARNUM | SPAR_ATOMVAL))
            {
                report_param_error(fp,
                                   name,
                                   params[i].name,
                                   "error: only SPAR_OPTIONAL supported with SPAR_ENUMVAL");
                bOk = false;
            }
        }
        /* Check boolean parameters */
        if (params[i].val.type == NO_VALUE)
        {
            if (params[i].val.nr != 0)
            {
                report_param_error(fp,
                                   name,
                                   params[i].name,
                                   "error: number of values should be zero for boolean parameters");
                bOk = false;
            }
            /* The boolean parameters should always be optional, so set the
             * flag for convenience. */
            params[i].flags |= SPAR_OPTIONAL;
            /* Any other flags should not be specified */
            if (params[i].flags & ~SPAR_OPTIONAL)
            {
                report_param_error(fp,
                                   name,
                                   params[i].name,
                                   "error: boolean parameter should not have any flags set");
                bOk = false;
            }
        }
        /* Check val.nr */
        if (params[i].flags & (SPAR_VARNUM | SPAR_ATOMVAL))
        {
            if (params[i].val.nr != -1)
            {
                report_param_error(
                        fp,
                        name,
                        params[i].name,
                        "warning: val.nr is not -1 although SPAR_VARNUM/SPAR_ATOMVAL is set");
            }
            params[i].val.nr = -1;
        }
        else if (params[i].val.type != NO_VALUE)
        {
            if (params[i].val.nr <= 0)
            {
                report_param_error(fp, name, params[i].name, "error: val.nr <= 0");
                bOk = false;
            }
        }
        /* Check that the value pointer is NULL */
        if (params[i].nvalptr != nullptr)
        {
            report_param_error(fp, name, params[i].name, "warning: nvalptr is set");
        }
        if (params[i].val.u.ptr != nullptr && !(params[i].flags & SPAR_ENUMVAL))
        {
            report_param_error(fp, name, params[i].name, "warning: value pointer is set");
        }
        /* Check that the name contains only valid characters */
        if (params[i].name == nullptr)
        {
            continue;
        }
        if (!std::isalpha(params[i].name[0]))
        {
            report_param_error(fp, name, params[i].name, "error: name does not begin with a letter");
            bOk = false;
            continue;
        }
        for (j = 1; params[i].name[j] != 0; ++j)
        {
            if (params[i].name[j] != '_' && !std::isalnum(params[i].name[j]))
            {
                report_param_error(fp,
                                   name,
                                   params[i].name,
                                   "error: name contains non-alphanumeric characters");
                bOk = false;
                break;
            }
        }
        if (params[i].name[j] != 0)
        {
            continue;
        }
        /* Check that the name does not conflict with a method */
        if (symtab.findSymbol(params[i].name) != nullptr)
        {
            report_param_error(fp,
                               name,
                               params[i].name,
                               "error: name conflicts with another method or a keyword");
            bOk = false;
        }
    } /* End of parameter loop */
    /* Check parameters of existing methods */
    gmx::SelectionParserSymbolIterator symbol =
            symtab.beginIterator(gmx::SelectionParserSymbol::MethodSymbol);
    while (symbol != symtab.endIterator())
    {
        gmx_ana_selmethod_t* method = symbol->methodValue();
        gmx_ana_selparam_t*  param  = gmx_ana_selmethod_find_param(name, method);
        if (param)
        {
            report_param_error(fp,
                               method->name,
                               param->name,
                               "error: name conflicts with another method or a keyword");
            bOk = false;
        }
        ++symbol;
    }
    return bOk;
}

/*! \brief
 * Checks the validity of selection method callback functions.
 *
 * \param[in] fp        File handle to use for diagnostic messages
 *   (can be NULL).
 * \param[in] method    The method to check.
 * \returns   true if there are no problems, false otherwise.
 *
 * This function performs some checks common to both check_method() and
 * check_modifier().
 * This function checks that all the required callbacks are defined, i.e.,
 * not NULL, to find programming errors.
 */
static bool check_callbacks(FILE* fp, gmx_ana_selmethod_t* method)
{
    bool bOk = true;
    bool bNeedInit;
    int  i;

    /* Make some checks on init_data and free */
    if (method->nparams > 0 && !method->init_data)
    {
        report_error(fp,
                     method->name,
                     "error: init_data should be provided because the method has parameters");
        bOk = false;
    }
    if (method->free && !method->init_data)
    {
        report_error(fp, method->name, "warning: free is not used because of missing init_data");
    }
    /* Check presence of outinit for position-valued methods */
    if (method->type == POS_VALUE && !method->outinit)
    {
        report_error(fp,
                     method->name,
                     "error: outinit should be provided because the method has POS_VALUE");
        bOk = false;
    }
    /* Check presence of outinit for variable output count methods */
    if ((method->flags & SMETH_VARNUMVAL) && !method->outinit)
    {
        report_error(fp,
                     method->name,
                     "error: outinit should be provided because the method has SMETH_VARNUMVAL");
        bOk = false;
    }
    /* Warn of dynamic callbacks in static methods */
    if (!(method->flags & SMETH_MODIFIER))
    {
        if (method->pupdate && !(method->flags & SMETH_DYNAMIC))
        {
            report_error(fp, method->name, "warning: pupdate not used because the method is static");
            method->pupdate = nullptr;
        }
    }
    /* Check that there is an evaluation function */
    if (method->type != NO_VALUE && !method->update && !method->pupdate)
    {
        report_error(fp, method->name, "error: evaluation function missing");
        bOk = false;
    }
    /* Loop through the parameters to determine if initialization callbacks
     * are needed. */
    bNeedInit = false;
    for (i = 0; i < method->nparams; ++i)
    {
        if (method->param[i].val.type != POS_VALUE
            && (method->param[i].flags & (SPAR_VARNUM | SPAR_ATOMVAL)))
        {
            bNeedInit = true;
        }
    }
    /* Check that the callbacks required by the parameters are present */
    if (bNeedInit && !method->init)
    {
        report_error(fp, method->name, "error: init should be provided");
        bOk = false;
    }
    return bOk;
}

/*! \brief
 * Checks the validity of a selection method.
 *
 * \param[in]     fp     File handle to use for diagnostic messages
 *   (can be NULL).
 * \param[in,out] method Method to check.
 * \param[in]     symtab Symbol table (used for checking overlaps).
 *
 * Checks the validity of the given selection method data structure
 * that does not have \ref SMETH_MODIFIER set.
 * If you remove a check, please make sure that the selection parser,
 * compiler, and evaluation functions can deal with the method.
 */
static bool check_method(FILE* fp, gmx_ana_selmethod_t* method, const gmx::SelectionParserSymbolTable& symtab)
{
    bool bOk = true;

    /* Check the type */
    if (method->type == NO_VALUE)
    {
        report_error(fp, method->name, "error: no value type specified");
        bOk = false;
    }
    if (method->type == STR_VALUE && method->nparams > 0)
    {
        report_error(fp, method->name, "error: evaluates to a string but is not a keyword");
        bOk = false;
    }
    /* Check flags */
    if (method->type == GROUP_VALUE)
    {
        /* Group methods should always have SMETH_SINGLEVAL,
         * so set it for convenience. */
        method->flags |= SMETH_SINGLEVAL;
        /* Check that conflicting flags are not present. */
        if (method->flags & SMETH_VARNUMVAL)
        {
            report_error(fp,
                         method->name,
                         "error: SMETH_VARNUMVAL cannot be set for group-valued methods");
            bOk = false;
        }
    }
    else
    {
        if ((method->flags & SMETH_SINGLEVAL) && (method->flags & SMETH_VARNUMVAL))
        {
            report_error(fp, method->name, "error: SMETH_SINGLEVAL and SMETH_VARNUMVAL both set");
            bOk = false;
        }
    }
    if ((method->flags & SMETH_CHARVAL) && method->type != STR_VALUE)
    {
        report_error(fp,
                     method->name,
                     "error: SMETH_CHARVAL can only be specified for STR_VALUE methods");
        bOk = false;
    }
    /* Check the parameters */
    if (!check_params(fp, method->name, method->nparams, method->param, symtab))
    {
        bOk = false;
    }
    /* Check the callback pointers */
    if (!check_callbacks(fp, method))
    {
        bOk = false;
    }

    return bOk;
}

/*! \brief
 * Checks the validity of a selection modifier method.
 *
 * \param[in]     fp     File handle to use for diagnostic messages
 *   (can be NULL).
 * \param[in,out] method Method to check.
 * \param[in]     symtab Symbol table (used for checking overlaps).
 *
 * Checks the validity of the given selection method data structure
 * that has \ref SMETH_MODIFIER set.
 * If you remove a check, please make sure that the selection parser,
 * compiler, and evaluation functions can deal with the method.
 */
static bool check_modifier(FILE* fp, gmx_ana_selmethod_t* method, const gmx::SelectionParserSymbolTable& symtab)
{
    bool bOk = true;

    /* Check the type */
    if (method->type != NO_VALUE && method->type != POS_VALUE)
    {
        report_error(fp, method->name, "error: modifier should have type POS_VALUE or NO_VALUE");
        bOk = false;
    }
    /* Check flags */
    if (method->flags & (SMETH_SINGLEVAL | SMETH_VARNUMVAL))
    {
        report_error(fp,
                     method->name,
                     "error: modifier should not have SMETH_SINGLEVAL or SMETH_VARNUMVAL set");
        bOk = false;
    }
    /* Check the parameters */
    /* The first parameter is skipped */
    if (!check_params(fp, method->name, method->nparams - 1, method->param + 1, symtab))
    {
        bOk = false;
    }
    /* Check the callback pointers */
    if (!check_callbacks(fp, method))
    {
        bOk = false;
    }
    if (method->update)
    {
        report_error(fp, method->name, "error: modifier should not have update");
        bOk = false;
    }
    if (method->type == POS_VALUE && !method->pupdate)
    {
        report_error(fp, method->name, "error: evaluation function missing");
        bOk = false;
    }

    return bOk;
}

/*!
 * \param[in,out] symtab Symbol table to register the method to.
 * \param[in]     name   Name under which the method should be registered.
 * \param[in]     method Method to register.
 * \returns       0 on success, -1 if there was something wrong with the
 *   method.
 *
 * \p name does not need to match the name of the method, and the same
 * method can be registered multiple times under different names.
 * If \p name equals some previously registered name,
 * an error message is printed and the method is not registered.
 *
 * The function also performs some sanity checking on the input method,
 * and refuses to register it if there are problems.
 * Some problems only generate warnings.
 * All problems are described to \p stderr.
 */
int gmx_ana_selmethod_register(gmx::SelectionParserSymbolTable* symtab,
                               const char*                      name,
                               gmx_ana_selmethod_t*             method)
{
    bool bOk;

    /* Check the method */
    if (method->flags & SMETH_MODIFIER)
    {
        bOk = check_modifier(stderr, method, *symtab);
    }
    else
    {
        bOk = check_method(stderr, method, *symtab);
    }
    /* Try to register the method if everything is ok */
    if (bOk)
    {
        try
        {
            symtab->addMethod(name, method);
        }
        catch (const gmx::APIError& ex)
        {
            report_error(stderr, name, "%s", ex.what());
            bOk = false;
        }
    }
    if (!bOk)
    {
        report_error(stderr, name, "warning: not registered");
        return -1;
    }
    return 0;
}

/*!
 * \param[in,out] symtab Symbol table to register the methods to.
 * \returns       0 on success, -1 if any of the default methods could not be
 *   registered.
 */
int gmx_ana_selmethod_register_defaults(gmx::SelectionParserSymbolTable* symtab)
{
    /* Array of selection methods defined in the library. */
    const t_register_method smtable_def[] = {
        { nullptr, &sm_cog },         { nullptr, &sm_com },

        { nullptr, &sm_all },         { nullptr, &sm_none },
        { nullptr, &sm_atomnr },      { nullptr, &sm_resnr },
        { "resid", &sm_resnr },       { nullptr, &sm_resindex },
        { "residue", &sm_resindex },  { nullptr, &sm_molindex },
        { "mol", &sm_molindex },      { "molecule", &sm_molindex },
        { nullptr, &sm_atomname },    { "name", &sm_atomname },
        { nullptr, &sm_pdbatomname }, { "pdbname", &sm_pdbatomname },
        { nullptr, &sm_atomtype },    { "type", &sm_atomtype },
        { nullptr, &sm_resname },     { nullptr, &sm_insertcode },
        { nullptr, &sm_chain },       { nullptr, &sm_mass },
        { nullptr, &sm_charge },      { nullptr, &sm_altloc },
        { nullptr, &sm_occupancy },   { nullptr, &sm_betafactor },
        { "beta", &sm_betafactor },   { nullptr, &sm_x },
        { nullptr, &sm_y },           { nullptr, &sm_z },

        { nullptr, &sm_distance },    { "dist", &sm_distance },
        { nullptr, &sm_mindistance }, { "mindist", &sm_mindistance },
        { nullptr, &sm_within },      { nullptr, &sm_insolidangle },
        { nullptr, &sm_same },

        { nullptr, &sm_merge },       { nullptr, &sm_plus },
        { nullptr, &sm_permute },
    };

    int  rc;
    bool bOk;

    bOk = true;
    for (int i = 0; i < asize(smtable_def); ++i)
    {
        gmx_ana_selmethod_t* method = smtable_def[i].method;

        if (smtable_def[i].name == nullptr)
        {
            rc = gmx_ana_selmethod_register(symtab, method->name, method);
        }
        else
        {
            rc = gmx_ana_selmethod_register(symtab, smtable_def[i].name, method);
        }
        if (rc != 0)
        {
            bOk = false;
        }
    }
    return bOk ? 0 : -1;
}

/*!
 * \param[in] name   Name of the parameter to search.
 * \param[in] method Method to search for the parameter.
 * \returns   Pointer to the parameter in the
 *   \ref gmx_ana_selmethod_t::param "method->param" array,
 *   or NULL if no parameter with name \p name was found.
 *
 * This is a simple wrapper for gmx_ana_selparam_find().
 */
gmx_ana_selparam_t* gmx_ana_selmethod_find_param(const char* name, gmx_ana_selmethod_t* method)
{
    return gmx_ana_selparam_find(name, method->nparams, method->param);
}
