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37 * Implements functions in parsetree.h.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 * \ingroup module_selection
43 * \page page_module_selection_parser Selection parsing
45 * The selection parser is implemented in the following files:
47 * Tokenizer implemented using Flex, splits the input into tokens
48 * (scanner.c and scanner_flex.h are generated from this file).
49 * - scanner.h, scanner_internal.h, scanner_internal.cpp:
50 * Helper functions for scanner.l and for interfacing between
51 * scanner.l and parser.y. Functions in scanner_internal.h are only
52 * used from scanner.l, while scanner.h is used from the parser.
53 * - symrec.h, symrec.cpp:
54 * Functions used by the tokenizer to handle the symbol table, i.e.,
55 * the recognized keywords. Some basic keywords are hardcoded into
56 * scanner.l, but all method and variable references go through the
57 * symbol table, as do position evaluation keywords.
59 * Semantic rules for parsing the grammar
60 * (parser.cpp and parser.h are generated from this file by Bison).
61 * - parsetree.h, parsetree.cpp:
62 * Functions called from actions in parser.y to construct the
63 * evaluation elements corresponding to different grammar elements.
65 * Defines a function that processes the parameters of selection
66 * methods and initializes the children of the method element.
67 * - selectioncollection.h, selectioncollection.cpp:
68 * These files define the high-level public interface to the parser
69 * through SelectionCollection::parseFromStdin(),
70 * SelectionCollection::parseFromFile() and
71 * SelectionCollection::parseFromString().
73 * The basic control flow in the parser is as follows: when a parser function
74 * in SelectionCollection gets called, it performs some
75 * initialization, and then calls the _gmx_sel_yyparse() function generated
76 * by Bison. This function then calls _gmx_sel_yylex() to repeatedly read
77 * tokens from the input (more complex tasks related to token recognition
78 * and bookkeeping are done by functions in scanner_internal.cpp) and uses the
79 * grammar rules to decide what to do with them. Whenever a grammar rule
80 * matches, a corresponding function in parsetree.cpp is called to construct
81 * either a temporary representation for the object or a
82 * gmx::SelectionTreeElement object
83 * (some simple rules are handled internally in parser.y).
84 * When a complete selection has been parsed, the functions in parsetree.cpp
85 * also take care of updating the ::gmx_ana_selcollection_t structure
88 * The rest of this page describes the resulting gmx::SelectionTreeElement
90 * Before the selections can be evaluated, this tree needs to be passed to
91 * the selection compiler, which is described on a separate page:
92 * \ref page_module_selection_compiler
95 * \section selparser_tree Element tree constructed by the parser
97 * The parser initializes the following fields in all selection elements:
98 * gmx::SelectionTreeElement::name, gmx::SelectionTreeElement::type,
99 * gmx::SelectionTreeElement::v\c .type,
100 * gmx::SelectionTreeElement::flags, gmx::SelectionTreeElement::child, and
101 * gmx::SelectionTreeElement::next.
102 * Some other fields are also initialized for particular element types as
104 * Fields that are not initialized are set to zero, NULL, or other similar
108 * \subsection selparser_tree_root Root elements
110 * The parser creates a \ref SEL_ROOT selection element for each variable
111 * assignment and each selection. However, there are two exceptions that do
112 * not result in a \ref SEL_ROOT element (in these cases, only the symbol
113 * table is modified):
114 * - Variable assignments that assign a variable to another variable.
115 * - Variable assignments that assign a non-group constant.
117 * The \ref SEL_ROOT elements are linked together in a chain in the same order
120 * The children of the \ref SEL_ROOT elements can be used to distinguish
121 * the two types of root elements from each other:
122 * - For variable assignments, the first and only child is always
123 * a \ref SEL_SUBEXPR element.
124 * - For selections, the first child is a \ref SEL_EXPRESSION or a
125 * \ref SEL_MODIFIER element that evaluates the final positions (if the
126 * selection defines a constant position, the child is a \ref SEL_CONST).
127 * The rest of the children are \ref SEL_MODIFIER elements with
128 * \ref NO_VALUE, in the order given by the user.
130 * The name of the selection/variable is stored in
131 * gmx::SelectionTreeElement::cgrp\c .name.
132 * It is set to either the name provided by the user or the selection string
133 * for selections not explicitly named by the user.
134 * \ref SEL_ROOT or \ref SEL_SUBEXPR elements do not appear anywhere else.
137 * \subsection selparser_tree_const Constant elements
139 * \ref SEL_CONST elements are created for every constant that is required
140 * for later evaluation.
141 * Currently, \ref SEL_CONST elements can be present for
142 * - selections that consist of a constant position,
143 * - \ref GROUP_VALUE method parameters if provided using external index
146 * For group-valued elements, the value is stored in
147 * gmx::SelectionTreeElement::cgrp; other types of values are stored in
148 * gmx::SelectionTreeElement::v.
149 * Constants that appear as parameters for selection methods are not present
150 * in the selection tree unless they have \ref GROUP_VALUE.
151 * \ref SEL_CONST elements have no children.
154 * \subsection selparser_tree_method Method evaluation elements
156 * \ref SEL_EXPRESSION and \ref SEL_MODIFIER elements are treated very
157 * similarly. The \c gmx_ana_selmethod_t structure corresponding to the
158 * evaluation method is in gmx::SelectionTreeElement::method, and the method
159 * data in gmx::SelectionTreeElement::mdata has been allocated using
161 * If a non-standard reference position type was set,
162 * gmx::SelectionTreeElement::pc has also been created, but only the type has
164 * All children of these elements are of the type \ref SEL_SUBEXPRREF, and
165 * each describes a selection that needs to be evaluated to obtain a value
166 * for one parameter of the method.
167 * No children are present for parameters that were given a constant
168 * non-\ref GROUP_VALUE value.
169 * The children are sorted in the order in which the parameters appear in the
170 * \ref gmx_ana_selmethod_t structure.
172 * In addition to actual selection keywords, \ref SEL_EXPRESSION elements
173 * are used internally to implement numerical comparisons (e.g., "x < 5")
174 * and keyword matching (e.g., "resnr 1 to 3" or "name CA").
177 * \subsection selparser_tree_subexpr Subexpression elements
179 * \ref SEL_SUBEXPR elements only appear for variables, as described above.
180 * gmx::SelectionTreeElement::name points to the name of the variable (from the
181 * \ref SEL_ROOT element).
182 * The element always has exactly one child, which represents the value of
185 * \ref SEL_SUBEXPRREF elements are used for two purposes:
186 * - Variable references that need to be evaluated (i.e., there is a
187 * \ref SEL_SUBEXPR element for the variable) are represented using
188 * \ref SEL_SUBEXPRREF elements.
189 * In this case, gmx::SelectionTreeElement::param is NULL, and the first and
190 * only child of the element is the \ref SEL_SUBEXPR element of the
192 * Such references can appear anywhere where the variable value
193 * (the child of the \ref SEL_SUBEXPR element) would be valid.
194 * - Children of \ref SEL_EXPRESSION and \ref SEL_MODIFIER elements are
195 * always of this type. For these elements, gmx::SelectionTreeElement::param
196 * is initialized to point to the parameter that receives the value from
198 * Each such element has exactly one child, which can be of any type;
199 * the \ref SEL_SUBEXPR element of a variable is used if the value comes
200 * from a variable, otherwise the child type is not \ref SEL_SUBEXPR.
203 * \subsection selparser_tree_bool Boolean elements
205 * One \ref SEL_BOOLEAN element is created for each boolean keyword in the
206 * input, and the tree structure represents the evaluation order.
207 * The gmx::SelectionTreeElement::boolt type gives the type of the operation.
208 * Each element has exactly two children (one for \ref BOOL_NOT elements),
209 * which are in the order given in the input.
210 * The children always have \ref GROUP_VALUE, but different element types
214 * \subsection selparser_tree_arith Arithmetic elements
216 * One \ref SEL_ARITHMETIC element is created for each arithmetic operation in
217 * the input, and the tree structure represents the evaluation order.
218 * The gmx::SelectionTreeElement::optype type gives the name of the operation.
219 * Each element has exactly two children (one for unary negation elements),
220 * which are in the order given in the input.
225 #include <boost/exception_ptr.hpp>
226 #include <boost/shared_ptr.hpp>
228 #include "gromacs/fileio/futil.h"
229 #include "gromacs/selection/poscalc.h"
230 #include "gromacs/selection/selection.h"
231 #include "gromacs/selection/selmethod.h"
232 #include "gromacs/utility/exceptions.h"
233 #include "gromacs/utility/file.h"
234 #include "gromacs/utility/messagestringcollector.h"
235 #include "gromacs/utility/smalloc.h"
236 #include "gromacs/utility/stringutil.h"
238 #include "keywords.h"
239 #include "parsetree.h"
240 #include "selectioncollection-impl.h"
246 using gmx::SelectionParserValue;
247 using gmx::SelectionParserValueList;
248 using gmx::SelectionParserValueListPointer;
249 using gmx::SelectionParserParameter;
250 using gmx::SelectionParserParameterList;
251 using gmx::SelectionParserParameterListPointer;
252 using gmx::SelectionParserValue;
253 using gmx::SelectionTreeElement;
254 using gmx::SelectionTreeElementPointer;
257 _gmx_selparser_error(yyscan_t scanner, const char *fmt, ...)
259 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
260 // FIXME: Use an arbitrary length buffer.
264 vsprintf(buf, fmt, ap);
270 _gmx_selparser_handle_exception(yyscan_t scanner, const std::exception &ex)
272 if (dynamic_cast<const gmx::UserInputError *>(&ex) != NULL)
274 // TODO: Consider whether also the non-interactive parser should
275 // postpone the exception such that the whole selection can be added as
277 if (_gmx_sel_is_lexer_interactive(scanner))
279 // TODO: Handle exceptions that printing the message may produce.
280 gmx::formatExceptionMessageToFile(stderr, ex);
284 _gmx_sel_lexer_set_exception(scanner, boost::current_exception());
291 /********************************************************************
292 * SelectionParserValue
295 SelectionParserValue::SelectionParserValue(e_selvalue_t type)
298 memset(&u, 0, sizeof(u));
301 SelectionParserValue::SelectionParserValue(
302 const SelectionTreeElementPointer &expr)
303 : type(expr->v.type), expr(expr)
305 memset(&u, 0, sizeof(u));
308 /********************************************************************
309 * SelectionParserParameter
312 SelectionParserParameter::SelectionParserParameter(
314 SelectionParserValueListPointer values)
315 : name_(name != NULL ? name : ""),
316 values_(values ? move(values)
317 : SelectionParserValueListPointer(new SelectionParserValueList))
324 * \param[in,out] sel Root of the selection element tree to initialize.
325 * \param[in] scanner Scanner data structure.
326 * \returns 0 on success, an error code on error.
328 * Propagates the \ref SEL_DYNAMIC flag from the children of \p sel to \p sel
329 * (if any child of \p sel is dynamic, \p sel is also marked as such).
330 * The \ref SEL_DYNAMIC flag is also set for \ref SEL_EXPRESSION elements with
332 * Also, sets one of the \ref SEL_SINGLEVAL, \ref SEL_ATOMVAL, or
333 * \ref SEL_VARNUMVAL flags, either based on the children or on the type of
334 * the selection method.
335 * If the types of the children conflict, an error is returned.
337 * The flags of the children of \p sel are also updated if not done earlier.
338 * The flags are initialized only once for any element; if \ref SEL_FLAGSSET
339 * is set for an element, the function returns immediately, and the recursive
340 * operation does not descend beyond such elements.
343 _gmx_selelem_update_flags(const gmx::SelectionTreeElementPointer &sel,
346 bool bUseChildType = false;
347 bool bOnlySingleChildren;
349 /* Return if the flags have already been set */
350 if (sel->flags & SEL_FLAGSSET)
354 /* Set the flags based on the current element type */
359 sel->flags |= SEL_SINGLEVAL;
360 bUseChildType = false;
364 if (sel->u.expr.method->flags & SMETH_DYNAMIC)
366 sel->flags |= SEL_DYNAMIC;
368 if (sel->u.expr.method->flags & SMETH_SINGLEVAL)
370 sel->flags |= SEL_SINGLEVAL;
372 else if (sel->u.expr.method->flags & SMETH_VARNUMVAL)
374 sel->flags |= SEL_VARNUMVAL;
378 sel->flags |= SEL_ATOMVAL;
380 bUseChildType = false;
384 sel->flags |= SEL_ATOMVAL;
385 bUseChildType = false;
389 if (sel->v.type != NO_VALUE)
391 sel->flags |= SEL_VARNUMVAL;
393 bUseChildType = false;
397 bUseChildType = false;
403 bUseChildType = true;
406 /* Loop through children to propagate their flags upwards */
407 bOnlySingleChildren = true;
408 SelectionTreeElementPointer child = sel->child;
411 /* Update the child */
412 _gmx_selelem_update_flags(child, scanner);
413 /* Propagate the dynamic flag */
414 sel->flags |= (child->flags & SEL_DYNAMIC);
415 /* Propagate the type flag if necessary and check for problems */
418 if ((sel->flags & SEL_VALTYPEMASK)
419 && !(sel->flags & child->flags & SEL_VALTYPEMASK))
421 _gmx_selparser_error(scanner, "invalid combination of selection expressions");
422 // FIXME: Use an exception.
425 sel->flags |= (child->flags & SEL_VALTYPEMASK);
427 if (!(child->flags & SEL_SINGLEVAL))
429 bOnlySingleChildren = false;
434 /* For arithmetic expressions consisting only of single values,
435 * the result is also a single value. */
436 if (sel->type == SEL_ARITHMETIC && bOnlySingleChildren)
438 sel->flags = (sel->flags & ~SEL_VALTYPEMASK) | SEL_SINGLEVAL;
440 /* For root elements, the type should be propagated here, after the
441 * children have been updated. */
442 if (sel->type == SEL_ROOT)
444 GMX_ASSERT(sel->child, "Root elements should always have a child");
445 sel->flags |= (sel->child->flags & SEL_VALTYPEMASK);
447 /* Mark that the flags are set */
448 sel->flags |= SEL_FLAGSSET;
452 * \param[in,out] sel Selection element to initialize.
453 * \param[in] scanner Scanner data structure.
455 * A deep copy of the parameters is made to allow several
456 * expressions with the same method to coexist peacefully.
457 * Calls sel_datafunc() if one is specified for the method.
460 _gmx_selelem_init_method_params(const gmx::SelectionTreeElementPointer &sel,
464 gmx_ana_selparam_t *orgparam;
465 gmx_ana_selparam_t *param;
469 nparams = sel->u.expr.method->nparams;
470 orgparam = sel->u.expr.method->param;
471 snew(param, nparams);
472 memcpy(param, orgparam, nparams*sizeof(gmx_ana_selparam_t));
473 for (i = 0; i < nparams; ++i)
475 param[i].flags &= ~SPAR_SET;
476 _gmx_selvalue_setstore(¶m[i].val, NULL);
477 if (param[i].flags & SPAR_VARNUM)
479 param[i].val.nr = -1;
481 /* Duplicate the enum value array if it is given statically */
482 if ((param[i].flags & SPAR_ENUMVAL) && orgparam[i].val.u.ptr != NULL)
486 /* Count the values */
488 while (orgparam[i].val.u.s[n] != NULL)
492 _gmx_selvalue_reserve(¶m[i].val, n+1);
493 memcpy(param[i].val.u.s, orgparam[i].val.u.s,
494 (n+1)*sizeof(param[i].val.u.s[0]));
498 if (sel->u.expr.method->init_data)
500 mdata = sel->u.expr.method->init_data(nparams, param);
502 if (sel->u.expr.method->set_poscoll)
504 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
506 sel->u.expr.method->set_poscoll(&sc->pcc, mdata);
508 /* Store the values */
509 sel->u.expr.method->param = param;
510 sel->u.expr.mdata = mdata;
514 * \param[in,out] sel Selection element to initialize.
515 * \param[in] method Selection method to set.
516 * \param[in] scanner Scanner data structure.
518 * Makes a copy of \p method and stores it in \p sel->u.expr.method,
519 * and calls _gmx_selelem_init_method_params();
522 _gmx_selelem_set_method(const gmx::SelectionTreeElementPointer &sel,
523 gmx_ana_selmethod_t *method,
526 _gmx_selelem_set_vtype(sel, method->type);
527 sel->setName(method->name);
528 snew(sel->u.expr.method, 1);
529 memcpy(sel->u.expr.method, method, sizeof(gmx_ana_selmethod_t));
530 _gmx_selelem_init_method_params(sel, scanner);
534 * Initializes the reference position calculation for a \ref SEL_EXPRESSION
537 * \param[in,out] pcc Position calculation collection to use.
538 * \param[in,out] sel Selection element to initialize.
539 * \param[in] rpost Reference position type to use (NULL = default).
540 * \param[in] scanner Scanner data structure.
541 * \returns 0 on success, a non-zero error code on error.
544 set_refpos_type(gmx::PositionCalculationCollection *pcc,
545 const SelectionTreeElementPointer &sel,
546 const char *rpost, yyscan_t scanner)
553 if (sel->u.expr.method->pupdate)
555 /* By default, use whole residues/molecules. */
557 = pcc->createCalculationFromEnum(rpost, POS_COMPLWHOLE);
561 // TODO: Should this be treated as a real error?
562 _gmx_selparser_error(scanner, "modifier '%s' is not applicable for '%s'",
563 rpost, sel->u.expr.method->name);
567 gmx::SelectionTreeElementPointer
568 _gmx_sel_init_arithmetic(const gmx::SelectionTreeElementPointer &left,
569 const gmx::SelectionTreeElementPointer &right,
570 char op, yyscan_t /* scanner */)
572 SelectionTreeElementPointer sel(new SelectionTreeElement(SEL_ARITHMETIC));
573 sel->v.type = REAL_VALUE;
576 case '+': sel->u.arith.type = ARITH_PLUS; break;
577 case '-': sel->u.arith.type = (right ? ARITH_MINUS : ARITH_NEG); break;
578 case '*': sel->u.arith.type = ARITH_MULT; break;
579 case '/': sel->u.arith.type = ARITH_DIV; break;
580 case '^': sel->u.arith.type = ARITH_EXP; break;
586 sel->u.arith.opstr = strdup(buf);
588 sel->child->next = right;
593 * \param[in] left Selection element for the left hand side.
594 * \param[in] right Selection element for the right hand side.
595 * \param[in] cmpop String representation of the comparison operator.
596 * \param[in] scanner Scanner data structure.
597 * \returns The created selection element.
599 * This function handles the creation of a gmx::SelectionTreeElement object for
600 * comparison expressions.
602 SelectionTreeElementPointer
603 _gmx_sel_init_comparison(const gmx::SelectionTreeElementPointer &left,
604 const gmx::SelectionTreeElementPointer &right,
605 const char *cmpop, yyscan_t scanner)
607 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
608 gmx::MessageStringContext context(errors, "In comparison initialization");
610 SelectionTreeElementPointer sel(new SelectionTreeElement(SEL_EXPRESSION));
611 _gmx_selelem_set_method(sel, &sm_compare, scanner);
613 SelectionParserParameterList params;
615 // Create the parameter for the left expression.
616 name = left->v.type == INT_VALUE ? "int1" : "real1";
617 params.push_back(SelectionParserParameter::createFromExpression(name, left));
618 // Create the parameter for the right expression.
619 name = right->v.type == INT_VALUE ? "int2" : "real2";
620 params.push_back(SelectionParserParameter::createFromExpression(name, right));
621 // Create the parameter for the operator.
623 SelectionParserParameter::create(
624 "op", SelectionParserValue::createString(cmpop)));
625 if (!_gmx_sel_parse_params(params, sel->u.expr.method->nparams,
626 sel->u.expr.method->param, sel, scanner))
628 return SelectionTreeElementPointer();
635 * Implementation method for keyword expression creation.
637 * \param[in] method Method to use.
638 * \param[in] matchType String matching type (only used if \p method is
639 * a string keyword and \p args is not empty.
640 * \param[in] args Pointer to the first argument.
641 * \param[in] rpost Reference position type to use (NULL = default).
642 * \param[in] scanner Scanner data structure.
643 * \returns The created selection element.
645 * This function handles the creation of a gmx::SelectionTreeElement object for
646 * selection methods that do not take parameters.
648 static SelectionTreeElementPointer
649 init_keyword_internal(gmx_ana_selmethod_t *method,
650 gmx::SelectionStringMatchType matchType,
651 SelectionParserValueListPointer args,
652 const char *rpost, yyscan_t scanner)
654 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
656 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
658 sprintf(buf, "In keyword '%s'", method->name);
659 gmx::MessageStringContext context(errors, buf);
661 if (method->nparams > 0)
663 // TODO: Would assert be better?
664 GMX_THROW(gmx::InternalError(
665 "Keyword initialization called with non-keyword method"));
668 SelectionTreeElementPointer root(new SelectionTreeElement(SEL_EXPRESSION));
669 SelectionTreeElementPointer child = root;
670 _gmx_selelem_set_method(child, method, scanner);
672 /* Initialize the evaluation of keyword matching if values are provided */
675 gmx_ana_selmethod_t *kwmethod;
676 switch (method->type)
678 case INT_VALUE: kwmethod = &sm_keyword_int; break;
679 case REAL_VALUE: kwmethod = &sm_keyword_real; break;
680 case STR_VALUE: kwmethod = &sm_keyword_str; break;
682 GMX_THROW(gmx::InternalError(
683 "Unknown type for keyword selection"));
685 /* Initialize the selection element */
686 root.reset(new SelectionTreeElement(SEL_EXPRESSION));
687 _gmx_selelem_set_method(root, kwmethod, scanner);
688 if (method->type == STR_VALUE)
690 _gmx_selelem_set_kwstr_match_type(root, matchType);
692 SelectionParserParameterList params;
694 SelectionParserParameter::createFromExpression(NULL, child));
695 params.push_back(SelectionParserParameter::create(NULL, move(args)));
696 if (!_gmx_sel_parse_params(params, root->u.expr.method->nparams,
697 root->u.expr.method->param, root, scanner))
699 return SelectionTreeElementPointer();
702 set_refpos_type(&sc->pcc, child, rpost, scanner);
708 * \param[in] method Method to use.
709 * \param[in] args Pointer to the first argument.
710 * \param[in] rpost Reference position type to use (NULL = default).
711 * \param[in] scanner Scanner data structure.
712 * \returns The created selection element.
714 * This function handles the creation of a gmx::SelectionTreeElement object for
715 * selection methods that do not take parameters.
717 SelectionTreeElementPointer
718 _gmx_sel_init_keyword(gmx_ana_selmethod_t *method,
719 gmx::SelectionParserValueListPointer args,
720 const char *rpost, yyscan_t scanner)
722 return init_keyword_internal(method, gmx::eStringMatchType_Auto, move(args),
727 * \param[in] method Method to use.
728 * \param[in] matchType String matching type.
729 * \param[in] args Pointer to the first argument.
730 * \param[in] rpost Reference position type to use (NULL = default).
731 * \param[in] scanner Scanner data structure.
732 * \returns The created selection element.
734 * This function handles the creation of a gmx::SelectionTreeElement object for
735 * keyword string matching.
737 SelectionTreeElementPointer
738 _gmx_sel_init_keyword_strmatch(gmx_ana_selmethod_t *method,
739 gmx::SelectionStringMatchType matchType,
740 gmx::SelectionParserValueListPointer args,
741 const char *rpost, yyscan_t scanner)
743 GMX_RELEASE_ASSERT(method->type == STR_VALUE,
744 "String keyword method called for a non-string-valued method");
745 GMX_RELEASE_ASSERT(args && !args->empty(),
746 "String keyword matching method called without any values");
747 return init_keyword_internal(method, matchType, move(args), rpost, scanner);
751 * \param[in] method Method to use for initialization.
752 * \param[in] params Pointer to the first parameter.
753 * \param[in] rpost Reference position type to use (NULL = default).
754 * \param[in] scanner Scanner data structure.
755 * \returns The created selection element.
757 * This function handles the creation of a gmx::SelectionTreeElement object for
758 * selection methods that take parameters.
760 * Part of the behavior of the \c same selection keyword is hardcoded into
761 * this function (or rather, into _gmx_selelem_custom_init_same()) to allow the
762 * use of any keyword in \c "same KEYWORD as" without requiring special
763 * handling somewhere else (or sacrificing the simple syntax).
765 SelectionTreeElementPointer
766 _gmx_sel_init_method(gmx_ana_selmethod_t *method,
767 gmx::SelectionParserParameterListPointer params,
768 const char *rpost, yyscan_t scanner)
770 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
773 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
775 sprintf(buf, "In keyword '%s'", method->name);
776 gmx::MessageStringContext context(errors, buf);
778 _gmx_sel_finish_method(scanner);
779 /* The "same" keyword needs some custom massaging of the parameters. */
780 rc = _gmx_selelem_custom_init_same(&method, params, scanner);
783 return SelectionTreeElementPointer();
785 SelectionTreeElementPointer root(new SelectionTreeElement(SEL_EXPRESSION));
786 _gmx_selelem_set_method(root, method, scanner);
787 /* Process the parameters */
788 if (!_gmx_sel_parse_params(*params, root->u.expr.method->nparams,
789 root->u.expr.method->param, root, scanner))
791 return SelectionTreeElementPointer();
793 set_refpos_type(&sc->pcc, root, rpost, scanner);
799 * \param[in] method Modifier to use for initialization.
800 * \param[in] params Pointer to the first parameter.
801 * \param[in] sel Selection element that the modifier should act on.
802 * \param[in] scanner Scanner data structure.
803 * \returns The created selection element.
805 * This function handles the creation of a gmx::SelectionTreeElement object for
806 * selection modifiers.
808 SelectionTreeElementPointer
809 _gmx_sel_init_modifier(gmx_ana_selmethod_t *method,
810 gmx::SelectionParserParameterListPointer params,
811 const gmx::SelectionTreeElementPointer &sel,
814 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
816 sprintf(buf, "In keyword '%s'", method->name);
817 gmx::MessageStringContext context(errors, buf);
819 _gmx_sel_finish_method(scanner);
820 SelectionTreeElementPointer modifier(new SelectionTreeElement(SEL_MODIFIER));
821 _gmx_selelem_set_method(modifier, method, scanner);
822 SelectionTreeElementPointer root;
823 if (method->type == NO_VALUE)
825 SelectionTreeElementPointer child = sel;
830 child->next = modifier;
836 SelectionParserParameter::createFromExpression(NULL, sel));
839 /* Process the parameters */
840 if (!_gmx_sel_parse_params(*params, modifier->u.expr.method->nparams,
841 modifier->u.expr.method->param, modifier, scanner))
843 return SelectionTreeElementPointer();
850 * \param[in] expr Input selection element for the position calculation.
851 * \param[in] type Reference position type or NULL for default.
852 * \param[in] scanner Scanner data structure.
853 * \returns The created selection element.
855 * This function handles the creation of a gmx::SelectionTreeElement object for
856 * evaluation of reference positions.
858 SelectionTreeElementPointer
859 _gmx_sel_init_position(const gmx::SelectionTreeElementPointer &expr,
860 const char *type, yyscan_t scanner)
862 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
864 sprintf(buf, "In position evaluation");
865 gmx::MessageStringContext context(errors, buf);
867 SelectionTreeElementPointer root(new SelectionTreeElement(SEL_EXPRESSION));
868 _gmx_selelem_set_method(root, &sm_keyword_pos, scanner);
869 _gmx_selelem_set_kwpos_type(root.get(), type);
870 /* Create the parameters for the parameter parser. */
871 SelectionParserParameterList params;
872 params.push_back(SelectionParserParameter::createFromExpression(NULL, expr));
873 /* Parse the parameters. */
874 if (!_gmx_sel_parse_params(params, root->u.expr.method->nparams,
875 root->u.expr.method->param, root, scanner))
877 return SelectionTreeElementPointer();
884 * \param[in] x,y,z Coordinates for the position.
885 * \returns The creates selection element.
887 SelectionTreeElementPointer
888 _gmx_sel_init_const_position(real x, real y, real z)
892 SelectionTreeElementPointer sel(new SelectionTreeElement(SEL_CONST));
893 _gmx_selelem_set_vtype(sel, POS_VALUE);
894 _gmx_selvalue_reserve(&sel->v, 1);
898 gmx_ana_pos_init_const(sel->v.u.p, pos);
903 * \param[in] name Name of an index group to search for.
904 * \param[in] scanner Scanner data structure.
905 * \returns The created selection element.
907 * See gmx_ana_indexgrps_find() for information on how \p name is matched
908 * against the index groups.
910 SelectionTreeElementPointer
911 _gmx_sel_init_group_by_name(const char *name, yyscan_t scanner)
914 SelectionTreeElementPointer sel(new SelectionTreeElement(SEL_GROUPREF));
915 _gmx_selelem_set_vtype(sel, GROUP_VALUE);
916 sel->setName(gmx::formatString("group \"%s\"", name));
917 sel->u.gref.name = strdup(name);
920 if (_gmx_sel_lexer_has_groups_set(scanner))
922 gmx_ana_indexgrps_t *grps = _gmx_sel_lexer_indexgrps(scanner);
923 sel->resolveIndexGroupReference(grps);
930 * \param[in] id Zero-based index number of the group to extract.
931 * \param[in] scanner Scanner data structure.
932 * \returns The created selection element.
934 SelectionTreeElementPointer
935 _gmx_sel_init_group_by_id(int id, yyscan_t scanner)
937 SelectionTreeElementPointer sel(new SelectionTreeElement(SEL_GROUPREF));
938 _gmx_selelem_set_vtype(sel, GROUP_VALUE);
939 sel->setName(gmx::formatString("group %d", id));
940 sel->u.gref.name = NULL;
943 if (_gmx_sel_lexer_has_groups_set(scanner))
945 gmx_ana_indexgrps_t *grps = _gmx_sel_lexer_indexgrps(scanner);
946 sel->resolveIndexGroupReference(grps);
953 * \param[in,out] sel Value of the variable.
954 * \returns The created selection element that references \p sel.
956 * The reference count of \p sel is updated, but no other modifications are
959 SelectionTreeElementPointer
960 _gmx_sel_init_variable_ref(const gmx::SelectionTreeElementPointer &sel)
962 SelectionTreeElementPointer ref;
964 if (sel->v.type == POS_VALUE && sel->type == SEL_CONST)
970 ref.reset(new SelectionTreeElement(SEL_SUBEXPRREF));
971 _gmx_selelem_set_vtype(ref, sel->v.type);
972 ref->setName(sel->name());
979 * \param[in] name Name for the selection
980 * (if NULL, a default name is constructed).
981 * \param[in] sel The selection element that evaluates the selection.
982 * \param scanner Scanner data structure.
983 * \returns The created root selection element.
985 * This function handles the creation of root (\ref SEL_ROOT)
986 * gmx::SelectionTreeElement objects for selections.
988 SelectionTreeElementPointer
989 _gmx_sel_init_selection(const char *name,
990 const gmx::SelectionTreeElementPointer &sel,
993 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
995 sprintf(buf, "In selection '%s'", _gmx_sel_lexer_pselstr(scanner));
996 gmx::MessageStringContext context(errors, buf);
998 if (sel->v.type != POS_VALUE)
1000 /* FIXME: Better handling of this error */
1001 GMX_THROW(gmx::InternalError(
1002 "Each selection must evaluate to a position"));
1005 SelectionTreeElementPointer root(new SelectionTreeElement(SEL_ROOT));
1009 root->setName(name);
1011 /* Update the flags */
1012 _gmx_selelem_update_flags(root, scanner);
1014 root->fillNameIfMissing(_gmx_sel_lexer_pselstr(scanner));
1016 /* Print out some information if the parser is interactive */
1017 if (_gmx_sel_is_lexer_interactive(scanner))
1019 fprintf(stderr, "Selection '%s' parsed\n",
1020 _gmx_sel_lexer_pselstr(scanner));
1028 * \param[in] name Name of the variable.
1029 * \param[in] expr The selection element that evaluates the variable.
1030 * \param scanner Scanner data structure.
1031 * \returns The created root selection element.
1033 * This function handles the creation of root gmx::SelectionTreeElement objects
1034 * for variable assignments. A \ref SEL_ROOT element and a \ref SEL_SUBEXPR
1035 * element are both created.
1037 SelectionTreeElementPointer
1038 _gmx_sel_assign_variable(const char *name,
1039 const gmx::SelectionTreeElementPointer &expr,
1042 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
1043 const char *pselstr = _gmx_sel_lexer_pselstr(scanner);
1044 SelectionTreeElementPointer root;
1046 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
1048 sprintf(buf, "In selection '%s'", pselstr);
1049 gmx::MessageStringContext context(errors, buf);
1051 _gmx_selelem_update_flags(expr, scanner);
1052 /* Check if this is a constant non-group value */
1053 if (expr->type == SEL_CONST && expr->v.type != GROUP_VALUE)
1055 /* If so, just assign the constant value to the variable */
1056 sc->symtab->addVariable(name, expr);
1059 /* Check if we are assigning a variable to another variable */
1060 if (expr->type == SEL_SUBEXPRREF)
1062 /* If so, make a simple alias */
1063 sc->symtab->addVariable(name, expr->child);
1066 /* Create the root element */
1067 root.reset(new SelectionTreeElement(SEL_ROOT));
1068 root->setName(name);
1069 /* Create the subexpression element */
1070 root->child.reset(new SelectionTreeElement(SEL_SUBEXPR));
1071 root->child->setName(name);
1072 _gmx_selelem_set_vtype(root->child, expr->v.type);
1073 root->child->child = expr;
1075 _gmx_selelem_update_flags(root, scanner);
1076 /* Add the variable to the symbol table */
1077 sc->symtab->addVariable(name, root->child);
1079 srenew(sc->varstrs, sc->nvars + 1);
1080 sc->varstrs[sc->nvars] = strdup(pselstr);
1082 if (_gmx_sel_is_lexer_interactive(scanner))
1084 fprintf(stderr, "Variable '%s' parsed\n", pselstr);
1090 * \param sel Selection to append (can be NULL, in which
1091 * case nothing is done).
1092 * \param last Last selection, or NULL if not present or not known.
1093 * \param scanner Scanner data structure.
1094 * \returns The last selection after the append.
1096 * Appends \p sel after the last root element, and returns either \p sel
1097 * (if it was non-NULL) or the last element (if \p sel was NULL).
1099 SelectionTreeElementPointer
1100 _gmx_sel_append_selection(const gmx::SelectionTreeElementPointer &sel,
1101 gmx::SelectionTreeElementPointer last,
1104 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
1106 /* Append sel after last, or the last element of sc if last is NULL */
1127 /* Initialize a selection object if necessary */
1131 /* Add the new selection to the collection if it is not a variable. */
1132 if (sel->child->type != SEL_SUBEXPR)
1134 gmx::SelectionDataPointer selPtr(
1135 new gmx::internal::SelectionData(
1136 sel.get(), _gmx_sel_lexer_pselstr(scanner)));
1137 sc->sel.push_back(gmx::move(selPtr));
1140 /* Clear the selection string now that we've saved it */
1141 _gmx_sel_lexer_clear_pselstr(scanner);
1146 * \param[in] scanner Scanner data structure.
1147 * \returns true if the parser should finish, false if parsing should
1150 * This function is called always after _gmx_sel_append_selection() to
1151 * check whether a sufficient number of selections has already been provided.
1152 * This is used to terminate interactive parsers when the correct number of
1153 * selections has been provided.
1156 _gmx_sel_parser_should_finish(yyscan_t scanner)
1158 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
1159 return (int)sc->sel.size() == _gmx_sel_lexer_exp_selcount(scanner);