| 41 |  |  | 
| 42 |  | #ifndef SELECTION_SELECTIONCOMPILER_HPP | 
| 43 |  | #define SELECTION_SELECTIONCOMPILER_HPP | 
| 44 | < |  | 
| 44 | > | #include <string> | 
| 45 |  | #include <vector> | 
| 46 |  | namespace oopse { | 
| 47 |  |  | 
| 49 |  | /** | 
| 50 |  | * @class SelectionCompiler SelectionCompiler.hpp "selection/SelectionCompiler.hpp" | 
| 51 |  | * @brief compile a selection script to tokens | 
| 52 | + | * @todo document | 
| 53 |  | * <pre> | 
| 54 |  |  | 
| 55 |  | expression       :: = clauseOr | 
| 62 |  |  | 
| 63 |  | clausePrimitive  ::= clauseComparator | | 
| 64 |  | clauseWithin | | 
| 65 | < | clauseResidueSpec | | 
| 65 | > | clauseChemObject | | 
| 66 |  | none | all | | 
| 67 |  | ( clauseOr ) | 
| 68 |  |  | 
| 71 |  | clauseWithin     ::= WITHIN ( clauseDistance , expression ) | 
| 72 |  |  | 
| 73 |  | clauseDistance   ::= integer | decimal | 
| 73 | – |  | 
| 74 |  |  | 
| 75 | + | clauseChemObject::= {clauseMolecule} | {clauseStuntDouble} | 
| 76 |  |  | 
| 77 | + | clauseMolecule ::= {clauseMolName} | {clauseMolIndex} | 
| 78 |  |  | 
| 79 | < | clauseResidueSpec::= { clauseResNameSpec } | 
| 80 | < | { clauseResNumSpec } | 
| 81 | < | { chainSpec } | 
| 80 | < | { clauseAtomSpec } | 
| 81 | < | { modelSpec } | 
| 79 | > | clauseMolName ::= molname clauseName | 
| 80 | > |  | 
| 81 | > | clauseName::= *|string | 
| 82 |  |  | 
| 83 | < | clauseResNameSpec::= * | [ resNamePattern ] | resNamePattern | 
| 83 | > | clauseMolIndex ::= molindex clauseIndex | 
| 84 | > |  | 
| 85 | > | clauseIndex ::= integer {- integer } | 
| 86 | > |  | 
| 87 | > | clauseStuntDouble ::= {clauseStuntDoubleName} | {clauseStuntDoubleIndex} | 
| 88 |  |  | 
| 89 | < | // question marks are part of identifiers | 
| 86 | < | // they get split up and dealt with as wildcards at runtime | 
| 87 | < | // and the integers which are residue number chains get bundled | 
| 88 | < | // in with the identifier and also split out at runtime | 
| 89 | < | // iff a variable of that name does not exist | 
| 89 | > | clauseStuntDoubleName ::= name clauseName | 
| 90 |  |  | 
| 91 | < | resNamePattern   ::= up to 3 alphanumeric chars with * and ? | 
| 91 | > | clauseStuntDoubleIndex ::= index clauseIndex | 
| 92 |  |  | 
| 93 | < | clauseResNumSpec ::= * | clauseSequenceRange | 
| 93 | > | * </pre> | 
| 94 | > | */ | 
| 95 | > | class SelectionCompiler{ | 
| 96 | > | public: | 
| 97 | > | bool compile(const std::string& filename, const std::string& script ); | 
| 98 | > |  | 
| 99 |  |  | 
| 100 | < | clauseSequenceRange ::= clauseSequenceCode { - clauseSequenceCode } | 
| 100 | > | std::vector<int> getLineNumbers() { | 
| 101 | > | return lineNumbers; | 
| 102 | > | } | 
| 103 |  |  | 
| 104 | < | clauseSequenceCode ::= seqcode | {-} integer | 
| 104 | > | std::vector<int> getLineIndices() { | 
| 105 | > | return lineIndices; | 
| 106 | > | } | 
| 107 |  |  | 
| 108 | < | clauseChainSpec  ::= {:} * | identifier | integer | 
| 108 | > | std::vector<std::vector<Token> > getAatokenCompiled() { | 
| 109 | > | return aatokenCompiled; | 
| 110 | > | } | 
| 111 |  |  | 
| 112 | < | clauseAtomSpec   ::= . * | . identifier {*} // note that this * is *not* a wildcard | 
| 112 | > | std::string getErrorMessage() { | 
| 113 | > | std::string strError = errorMessage; | 
| 114 | > | strError += " : " + errorLine + "\n"; | 
| 115 |  |  | 
| 116 | < | clauseModelSpec  ::= {:|/} * | integer | 
| 117 | < |  | 
| 118 | < | * </pre> | 
| 106 | < | */ | 
| 107 | < | class SelectionCompiler{ | 
| 108 | < | public: | 
| 109 | < | bool compile(); | 
| 116 | > | if (!filename.empty()) { | 
| 117 | > | strError += filename; | 
| 118 | > | } | 
| 119 |  |  | 
| 120 | < | std::vector<Token> getCompiledTokens(); | 
| 120 | > | strError += " line#" + lineCurrent; | 
| 121 | > | return strError; | 
| 122 | > | } | 
| 123 | > |  | 
| 124 | > |  | 
| 125 |  | private: | 
| 126 |  |  | 
| 127 | + | bool internalcompile(); | 
| 128 | + |  | 
| 129 | + |  | 
| 130 | + | bool lookingAtLeadingWhitespace(); | 
| 131 | + | bool lookingAtComment(); | 
| 132 | + | bool lookingAtEndOfLine(); | 
| 133 | + | bool lookingAtEndOfStatement(); | 
| 134 | + | bool lookingAtString(); | 
| 135 | + |  | 
| 136 | + |  | 
| 137 | + | bool compileCommand(const std::vector<vector>&); | 
| 138 | + |  | 
| 139 |  | bool clauseOr(); | 
| 140 |  | bool clauseAnd(); | 
| 141 |  | bool clauseNot(); | 
| 142 |  | bool clausePrimitive(); | 
| 143 |  | bool clauseWithin(); | 
| 144 |  | bool clauseComparator(); | 
| 145 | + | bool clauseChemObject(); | 
| 146 | + | bool clauseMolecule(); | 
| 147 | + | bool clauseMolName(); | 
| 148 | + | bool clauseMolIndex(); | 
| 149 | + | bool clauseName(); | 
| 150 | + | bool clauseIndex(); | 
| 151 | + | bool clauseStuntDoubleName(); | 
| 152 | + | bool clauseStuntDoubleIndex(); | 
| 153 | + |  | 
| 154 | + | bool compileError(const std::string& errorMessage) { | 
| 155 | + | std::cerr << "SelectionCompiler Error: " << errorMessage <<  << std::endl; | 
| 156 | + | error = true; | 
| 157 | + | this.errorMessage = errorMessage; | 
| 158 | + | return false; | 
| 159 | + | } | 
| 160 |  |  | 
| 161 | < | internalCompile(); | 
| 161 | > | bool commandExpected() { | 
| 162 | > | return compileError("command expected"); | 
| 163 | > | } | 
| 164 |  |  | 
| 165 | < | std::vector<Token> compiledTokens_; | 
| 165 | > | bool invalidExpressionToken(const std::string& ident) { | 
| 166 | > | return compileError("invalid expression token:" + ident); | 
| 167 | > | } | 
| 168 | > |  | 
| 169 | > | bool unrecognizedToken() { | 
| 170 | > | return compileError("unrecognized token"); | 
| 171 | > | } | 
| 172 | > |  | 
| 173 | > | bool badArgumentCount() { | 
| 174 | > | return compileError("bad argument count"); | 
| 175 | > | } | 
| 176 | > |  | 
| 177 | > | bool endOfExpressionExpected() { | 
| 178 | > | return compileError("end of expression expected"); | 
| 179 | > | } | 
| 180 | > |  | 
| 181 | > | bool leftParenthesisExpected() { | 
| 182 | > | return compileError("left parenthesis expected"); | 
| 183 | > | } | 
| 184 | > |  | 
| 185 | > | bool rightParenthesisExpected() { | 
| 186 | > | return compileError("right parenthesis expected"); | 
| 187 | > | } | 
| 188 | > |  | 
| 189 | > | bool commaExpected() { | 
| 190 | > | return compileError("comma expected"); | 
| 191 | > | } | 
| 192 | > |  | 
| 193 | > | bool unrecognizedExpressionToken() { | 
| 194 | > | return compileError("unrecognized expression token:" + valuePeek()); | 
| 195 | > | } | 
| 196 | > |  | 
| 197 | > | bool comparisonOperatorExpected() { | 
| 198 | > | return compileError("comparison operator expected"); | 
| 199 | > | } | 
| 200 | > |  | 
| 201 | > | bool integerExpected() { | 
| 202 | > | return compileError("integer expected"); | 
| 203 | > | } | 
| 204 | > |  | 
| 205 | > |  | 
| 206 | > | std::string filename; | 
| 207 | > | std::string script; | 
| 208 | > |  | 
| 209 | > | std::vector<int> lineNumbers; | 
| 210 | > | std::vector<int> lineIndices; | 
| 211 | > | std::vector<std::vector<Token> >aatokenCompiled; | 
| 212 | > |  | 
| 213 | > | bool error; | 
| 214 | > | std::string errorMessage; | 
| 215 | > | std::string errorLine; | 
| 216 | > |  | 
| 217 | > | int cchScript; | 
| 218 | > | short lineCurrent; | 
| 219 | > |  | 
| 220 | > | int ichToken; | 
| 221 | > | int cchToken; | 
| 222 | > | std::vector<Token> atokenCommand; | 
| 223 | > |  | 
| 224 | > | int ichCurrentCommand; | 
| 225 | > |  | 
| 226 | > | std::vector<Token> ltokenPostfix; | 
| 227 | > | std::vector<Token> atokenInfix; | 
| 228 | > | int itokenInfix; | 
| 229 | > |  | 
| 230 | > | //std::vector<Token> compiledTokens_; | 
| 231 |  | }; | 
| 232 |  |  | 
| 233 |  | } | 
| 234 |  | #endif | 
| 235 | + |  |