| 118 |  | //    continue; | 
| 119 |  | //} | 
| 120 |  | if (lookingAtDecimal((tokCommand & Token::negnums) != 0)) { | 
| 121 | < | float value = lexi_cast<float>(script.substr(ichToken, ichToken + cchToken)); | 
| 122 | < | ltoken.push_back(Token(Token::decimal, value));/**@todo*/ | 
| 121 | > | float value = lexi_cast<float>(script.substr(ichToken, cchToken)); | 
| 122 | > | ltoken.push_back(Token(Token::decimal, boost::any(value))); | 
| 123 |  | continue; | 
| 124 |  | } | 
| 125 |  | if (lookingAtInteger((tokCommand & Token::negnums) != 0)) { | 
| 126 | < | std::string intString = script.substr(ichToken, ichToken + cchToken); | 
| 127 | < | int val = lexi_cast<int>(intString); | 
| 128 | < | ltoken.push_back(Token(Token::integer, val, intString));/**@todo*/ | 
| 126 | > |  | 
| 127 | > | int val = lexi_cast<int>(script.substr(ichToken, cchToken)); | 
| 128 | > | ltoken.push_back(Token(Token::integer,   boost::any(val))); | 
| 129 |  | continue; | 
| 130 |  | } | 
| 131 |  | } | 
| 242 |  | previousCharBackslash = ch == '\\' ? !previousCharBackslash : false; | 
| 243 |  | } | 
| 244 |  | cchToken = ichT - ichToken; | 
| 245 | + |  | 
| 246 |  | return true; | 
| 247 |  | } | 
| 248 |  |  | 
| 340 |  | return false; | 
| 341 |  | } | 
| 342 |  |  | 
| 343 | < | // to support 1.ca, let's check the character after the dot | 
| 344 | < | // to determine if it is an alpha | 
| 344 | < | if (ch == '.' && (ichT + 1 < cchScript) && std::isalpha(script[ichT + 1])) { | 
| 343 | > | // to support DMPC.1, let's check the character before the dot | 
| 344 | > | if (ch == '.' && (ichT > 0) && std::isalpha(script[ichT - 1])) { | 
| 345 |  | return false; | 
| 346 |  | } | 
| 347 |  |  | 
| 384 |  | case '(': | 
| 385 |  | case ')': | 
| 386 |  | case ',': | 
| 387 | – | case '*': | 
| 388 | – | case '-': | 
| 387 |  | case '[': | 
| 388 |  | case ']': | 
| 391 | – | case '+': | 
| 392 | – | case ':': | 
| 393 | – | case '@': | 
| 394 | – | case '.': | 
| 395 | – | case '%': | 
| 389 |  | break; | 
| 390 |  | case '&': | 
| 391 |  | case '|': | 
| 410 |  | if ((ch < 'a' || ch > 'z') && (ch < 'A' && ch > 'Z') && ch != '_') { | 
| 411 |  | return false; | 
| 412 |  | } | 
| 413 | + | case '*': | 
| 414 |  | case '?': // include question marks in identifier for atom expressions | 
| 415 | < | while (ichT < cchScript && !std::isspace(ch = script[ichT]) && (std::isalpha(ch) ||std::isdigit(ch) || | 
| 416 | < | ch == '_' || ch == '?') ) { | 
| 415 | > | while (ichT < cchScript && !std::isspace(ch = script[ichT]) && | 
| 416 | > | (std::isalpha(ch) ||std::isdigit(ch) || ch == '_' || ch == '.' || ch == '*' || ch == '?' || ch == '+' || ch == '-' || ch == '[' || ch == ']') ){ | 
| 417 |  |  | 
| 418 |  | ++ichT; | 
| 419 |  | } | 
| 420 |  | break; | 
| 421 |  | } | 
| 422 | + |  | 
| 423 |  | cchToken = ichT - ichToken; | 
| 424 | + |  | 
| 425 |  | return true; | 
| 426 |  | } | 
| 427 |  |  | 
| 558 |  | case Token::asterisk: | 
| 559 |  | case Token::identifier: | 
| 560 |  | return clauseChemObjName(); | 
| 561 | < |  | 
| 561 | > |  | 
| 562 | > | case Token::integer : | 
| 563 | > | return clauseIndex(); | 
| 564 |  | default: | 
| 565 |  | if ((tok & Token::atomproperty) == Token::atomproperty) { | 
| 566 |  | return clauseComparator(); | 
| 606 |  | return false; | 
| 607 |  | } | 
| 608 |  |  | 
| 609 | + | boost::any floatVal; | 
| 610 | + | floatVal = val; | 
| 611 |  | return addTokenToPostfix(Token(tokenComparator.tok, | 
| 612 | < | tokenAtomProperty.tok, boost::any(val))); | 
| 612 | > | tokenAtomProperty.tok, floatVal)); | 
| 613 |  | } | 
| 614 |  |  | 
| 615 |  | bool SelectionCompiler::clauseWithin() { | 
| 622 |  | Token tokenDistance = tokenNext();       // distance | 
| 623 |  | switch(tokenDistance.tok) { | 
| 624 |  | case Token::integer: | 
| 625 | – | distance = float(tokenDistance.intValue); | 
| 626 | – | break; | 
| 625 |  | case Token::decimal: | 
| 626 |  | distance = tokenDistance.value; | 
| 627 |  | break; | 
| 645 |  | } | 
| 646 |  |  | 
| 647 |  | bool SelectionCompiler::clauseChemObjName() { | 
| 648 | < | std::string chemObjName; | 
| 649 | < | int tok = tokPeek(); | 
| 652 | < | if (!clauseName(chemObjName)){ | 
| 653 | < | return false; | 
| 654 | < | } | 
| 648 | > | Token token = tokenNext(); | 
| 649 | > | if (token.tok == Token::identifier && token.value.type() == typeid(std::string)) { | 
| 650 |  |  | 
| 651 | < |  | 
| 652 | < | tok = tokPeek(); | 
| 653 | < | //allow two dot at most | 
| 654 | < | if (tok == Token::dot) { | 
| 655 | < | tokenNext(); | 
| 661 | < | chemObjName += "."; | 
| 662 | < | if (!clauseName(chemObjName)) { | 
| 663 | < | return false; | 
| 651 | > | std::string name = boost::any_cast<std::string>(token.value); | 
| 652 | > | if (isNameValid(name)) { | 
| 653 | > | return addTokenToPostfix(Token(Token::name, name)); | 
| 654 | > | } else { | 
| 655 | > | return compileError("invalid name: " + name); | 
| 656 |  | } | 
| 657 | < | tok = tokPeek(); | 
| 666 | < | if (tok == Token::dot) { | 
| 667 | < | tokenNext(); | 
| 668 | < | chemObjName += "."; | 
| 657 | > | } | 
| 658 |  |  | 
| 659 | < | if (!clauseName(chemObjName)) { | 
| 660 | < | return false; | 
| 661 | < | } | 
| 662 | < | } | 
| 659 | > | return false; | 
| 660 | > |  | 
| 661 | > | } | 
| 662 | > |  | 
| 663 | > | bool SelectionCompiler::isNameValid(const std::string& name) { | 
| 664 | > | int nbracket = 0; | 
| 665 | > | int ndot = 0; | 
| 666 | > | for (int i =0 ; i < name.size(); ++i) { | 
| 667 | > | switch(name[i]) { | 
| 668 | > |  | 
| 669 | > | case '[' : | 
| 670 | > | ++nbracket; | 
| 671 | > | break; | 
| 672 | > | case ']' : | 
| 673 | > | --nbracket; | 
| 674 | > | break; | 
| 675 | > | case '.' : | 
| 676 | > | ++ndot; | 
| 677 | > | break; | 
| 678 | > | } | 
| 679 |  | } | 
| 680 |  |  | 
| 681 | < | return addTokenToPostfix(Token(Token::name, chemObjName)); | 
| 681 | > | //only allow 3 dots at most | 
| 682 | > | return (ndot <=3 && nbracket == 0) ? true : false; | 
| 683 |  | } | 
| 684 |  |  | 
| 685 | < | bool SelectionCompiler:: clauseName(std::string& name) { | 
| 686 | < |  | 
| 687 | < | int tok = tokPeek(); | 
| 688 | < |  | 
| 689 | < | if (tok == Token::asterisk || tok == Token::identifier) { | 
| 690 | < | name += boost::any_cast<std::string>(tokenNext().value); | 
| 691 | < |  | 
| 692 | < | while(true){ | 
| 685 | > | bool SelectionCompiler::clauseIndex(){ | 
| 686 | > | Token token = tokenNext(); | 
| 687 | > | if (token.tok == Token::integer) { | 
| 688 | > | int index = boost::any_cast<int>(token.value); | 
| 689 | > | int tok = tokPeek(); | 
| 690 | > | std::cout << "Token::to is " << Token::to << ", tok = " << tok << std::endl; | 
| 691 | > | if (tok == Token::to) { | 
| 692 | > | tokenNext(); | 
| 693 |  | tok = tokPeek(); | 
| 694 | < | switch (tok) { | 
| 695 | < | case Token::asterisk : | 
| 690 | < | name += "*"; | 
| 691 | < | tokenNext(); | 
| 692 | < | break; | 
| 693 | < | case Token::identifier : | 
| 694 | < | name += boost::any_cast<std::string>(tokenNext().value); | 
| 695 | < | break; | 
| 696 | < | case Token::integer : | 
| 697 | < | name += toString(boost::any_cast<int>(tokenNext().value)); | 
| 698 | < | break; | 
| 699 | < | case Token::dot : | 
| 700 | < | return true; | 
| 701 | < | default : | 
| 702 | < | return true; | 
| 694 | > | if (tok != Token::integer) { | 
| 695 | > | return numberExpected(); | 
| 696 |  | } | 
| 697 | + |  | 
| 698 | + | boost::any intVal = tokenNext().value; | 
| 699 | + | int first = index; | 
| 700 | + | if (intVal.type() != typeid(int)){ | 
| 701 | + | return false; | 
| 702 | + | } | 
| 703 | + | int second = boost::any_cast<int>(intVal); | 
| 704 | + |  | 
| 705 | + | return addTokenToPostfix(Token(Token::index, boost::any(std::make_pair(first, second)))); | 
| 706 | + |  | 
| 707 | + | }else { | 
| 708 | + | return addTokenToPostfix(Token(Token::index, boost::any(index))); | 
| 709 |  | } | 
| 710 | < |  | 
| 711 | < | }else { | 
| 707 | < | return false; | 
| 710 | > | } else { | 
| 711 | > | return numberExpected(); | 
| 712 |  | } | 
| 709 | – |  | 
| 713 |  | } | 
| 714 |  |  | 
| 712 | – |  | 
| 715 |  | } |