TokenMap.cpp

/*
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 * reserved.
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 *    this list of conditions and the following disclaimer in the documentation
 *    and/or other materials provided with the distribution.
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 *    contributors may be used to endorse or promote products derived from
 *    this software without specific prior written permission.
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 * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
 * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
 * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE
 * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR
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 * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
 * POSSIBILITY OF SUCH DAMAGE.
 *
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the following paper when you publish your work:
 *
 * [1] Drisko et al., J. Open Source Softw. 9, 7004 (2024).
 *
 * Good starting points for code and simulation methodology are:
 *
 * [2] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
 * [3] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
 * [4] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
 * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 * [6] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
 * [7] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
 * [9] Drisko & Gezelter, J. Chem. Theory Comput. 20, 4986-4997 (2024).
 */
 
#include "selection/TokenMap.hpp"
 
namespace OpenMD {
 
  // Complete selection-language vocabulary in one place.
  // Each entry: { keyword, token-type }
  // Aliases (e.g. "&" for "and") map to the same token type.
  struct TokenEntry {
    const char* keyword;
    int         tok;
  };
 
  static const TokenEntry tokenTable[] = {
    // commands
    {"define",    Token::define},
    {"select",    Token::select},
 
    // grouping
    {"(",         Token::leftparen},
    {")",         Token::rightparen},
 
    // boolean operators (with aliases)
    {"and",       Token::opAnd},
    {"&",         Token::opAnd},
    {"&&",        Token::opAnd},
    {"or",        Token::opOr},
    {",",         Token::opOr},
    {"|",         Token::opOr},
    {"||",        Token::opOr},
    {"not",       Token::opNot},
    {"!",         Token::opNot},
 
    // comparison operators
    {"<",         Token::opLT},
    {"<=",        Token::opLE},
    {">=",        Token::opGE},
    {">",         Token::opGT},
    {"==",        Token::opEQ},
    {"!=",        Token::opNE},
 
    // keywords
    {"within",    Token::within},
    {".",         Token::dot},
    {"to",        Token::to},
    {"all",       Token::all},
    {"none",      Token::none},
 
    // atom properties
    {"mass",      Token::mass},
    {"charge",    Token::charge},
    {"x",         Token::x},
    {"y",         Token::y},
    {"z",         Token::z},
    {"wrappedx",  Token::wrappedX},
    {"wrappedy",  Token::wrappedY},
    {"wrappedz",  Token::wrappedZ},
    {"r",         Token::r},
    {"atomno",    Token::atomno},
 
    // geometric selectors
    {"hull",      Token::hull},
    {"alphahull", Token::alphahull},
  };
 
  TokenMap::TokenMap() {
    for (const auto& entry : tokenTable) {
      std::string key(entry.keyword);
      tokenMap_.insert({key, Token(entry.tok, key)});
    }
  }
 
  Token* TokenMap::getToken(const std::string& ident) {
    auto i = tokenMap_.find(ident);
    return i != tokenMap_.end() ? &(i->second) : NULL;
  }
}  // namespace OpenMD