//

//  Copyright (C) 2001-2022 Greg Landrum and other RDKit contributors

//

//   @@ All Rights Reserved @@

//  This file is part of the RDKit.

//  The contents are covered by the terms of the BSD license

//  which is included in the file license.txt, found at the root

//  of the RDKit source tree.

//

#include <string_view>

#include <RDGeneral/export.h>

#ifndef RD_SMILESPARSEOPS_H

#define RD_SMILESPARSEOPS_H

#include <GraphMol/Bond.h>

namespace RDKit {

class RWMol;

class Atom;

class QueryBond;

}  // namespace RDKit

namespace SmilesParseOps {

RDKIT_SMILESPARSE_EXPORT void CheckRingClosureBranchStatus(RDKit::Atom *atom,

                                                           RDKit::RWMol *mp);

RDKIT_SMILESPARSE_EXPORT void ReportParseError(const char *message,

                                               bool throwIt = true);

RDKIT_SMILESPARSE_EXPORT void CleanupAfterParseError(RDKit::RWMol *mol);

// This uses SMARTS semantics: unspecified bonds are treated as

// aromatic or single.

RDKIT_SMILESPARSE_EXPORT void AddFragToMol(

    RDKit::RWMol *mol, RDKit::RWMol *frag,

    RDKit::Bond::BondType bondOrder = RDKit::Bond::UNSPECIFIED,

    RDKit::Bond::BondDir bondDir = RDKit::Bond::NONE);

RDKIT_SMILESPARSE_EXPORT RDKit::Bond::BondType GetUnspecifiedBondType(

    const RDKit::RWMol *mol, const RDKit::Atom *atom1,

    const RDKit::Atom *atom2);

RDKIT_SMILESPARSE_EXPORT void CheckChiralitySpecifications(RDKit::RWMol *mol,

                                                           bool strict);

RDKIT_SMILESPARSE_EXPORT void CloseMolRings(RDKit::RWMol *mol,

                                            bool toleratePartials);

RDKIT_SMILESPARSE_EXPORT void SetUnspecifiedBondTypes(RDKit::RWMol *mol);

RDKIT_SMILESPARSE_EXPORT void AdjustAtomChiralityFlags(RDKit::RWMol *mol);

RDKIT_SMILESPARSE_EXPORT void CleanupAfterParsing(RDKit::RWMol *mol);

RDKIT_SMILESPARSE_EXPORT void parseCXExtensions(

    RDKit::RWMol &mol, const std::string &extText,

    std::string::const_iterator &pos, unsigned int startAtomIdx = 0,

    unsigned int startBondIdx = 0);

inline void parseCXExtensions(RDKit::RWMol &mol, const std::string &extText,

                              unsigned int startAtomIdx,

                              unsigned int startBondIdx) {

  auto iter = extText.begin();

  parseCXExtensions(mol, extText, iter, startAtomIdx, startBondIdx);

};

//! removes formal charge, isotope, etc. Primarily useful for QueryAtoms

RDKIT_SMILESPARSE_EXPORT void ClearAtomChemicalProps(RDKit::Atom *atom);

//! returns whether or not the combination of tag and permutation provided are

//! legal

RDKIT_SMILESPARSE_EXPORT bool checkChiralPermutation(int chiralTag,

                                                     int permutation);

//! this is a bit of a hack to try and get nicer "SMILES" from

//! a SMARTS molecule

RDKIT_SMILESPARSE_EXPORT RDKit::QueryBond *getUnspecifiedQueryBond(

    const RDKit::Atom *a1, const RDKit::Atom *a2);

namespace detail {

constexpr auto _needsDetectBondStereo = "_needsDetectBondStereo";

constexpr auto _needsDetectAtomStereo = "_needsDetectAtomStereo";

void printSyntaxErrorMessage(std::string_view input,

                             std::string_view err_message,

                             unsigned int bad_token_position,

                             std::string_view input_type);

}  // namespace detail

}  // namespace SmilesParseOps

#endif