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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.
224 #include "parsetree.h"
229 #include <boost/exception_ptr.hpp>
230 #include <boost/shared_ptr.hpp>
232 #include "gromacs/selection/selection.h"
233 #include "gromacs/utility/cstringutil.h"
234 #include "gromacs/utility/exceptions.h"
235 #include "gromacs/utility/smalloc.h"
236 #include "gromacs/utility/stringutil.h"
238 #include "keywords.h"
241 #include "selectioncollection-impl.h"
243 #include "selmethod.h"
246 using gmx::SelectionLocation;
247 using gmx::SelectionParserValue;
248 using gmx::SelectionParserValueList;
249 using gmx::SelectionParserValueListPointer;
250 using gmx::SelectionParserParameter;
251 using gmx::SelectionParserParameterList;
252 using gmx::SelectionParserParameterListPointer;
253 using gmx::SelectionParserValue;
254 using gmx::SelectionTreeElement;
255 using gmx::SelectionTreeElementPointer;
261 * Formats context string for errors.
263 * The returned string is used as the context for errors reported during
267 formatCurrentErrorContext(yyscan_t scanner)
269 return gmx::formatString(
270 "While parsing '%s'",
271 _gmx_sel_lexer_get_current_text(scanner).c_str());
277 _gmx_selparser_handle_exception(yyscan_t scanner, std::exception *ex)
281 bool canContinue = false;
282 gmx::GromacsException *gromacsException
283 = dynamic_cast<gmx::GromacsException *>(ex);
284 if (gromacsException != NULL)
286 gromacsException->prependContext(formatCurrentErrorContext(scanner));
287 canContinue = (dynamic_cast<gmx::UserInputError *>(ex) != NULL);
289 _gmx_sel_lexer_set_exception(scanner, boost::current_exception());
292 catch (const std::exception &)
294 _gmx_sel_lexer_set_exception(scanner, boost::current_exception());
300 _gmx_selparser_handle_error(yyscan_t scanner)
302 std::string context(gmx::formatString("Invalid selection '%s'",
303 _gmx_sel_lexer_pselstr(scanner)));
304 // The only way to prepend context to the exception is to rethrow it.
307 _gmx_sel_lexer_rethrow_exception_if_occurred(scanner);
309 catch (gmx::UserInputError &ex)
311 ex.prependContext(context);
312 if (_gmx_sel_is_lexer_interactive(scanner))
314 gmx::formatExceptionMessageToFile(stderr, ex);
319 catch (gmx::GromacsException &ex)
321 ex.prependContext(context);
324 GMX_RELEASE_ASSERT(false, "All parsing errors should result in a captured exception");
325 return false; // Some compilers will not believe that the above never returns.
331 /********************************************************************
332 * SelectionParserValue
335 SelectionParserValue::SelectionParserValue(
336 e_selvalue_t type, const SelectionLocation &location)
337 : type(type), location_(location)
339 memset(&u, 0, sizeof(u));
342 SelectionParserValue::SelectionParserValue(
343 const SelectionTreeElementPointer &expr)
344 : type(expr->v.type), expr(expr), location_(expr->location())
346 memset(&u, 0, sizeof(u));
349 /********************************************************************
350 * SelectionParserParameter
353 SelectionParserParameter::SelectionParserParameter(
355 SelectionParserValueListPointer values,
356 const SelectionLocation &location)
357 : name_(name != NULL ? name : ""), location_(location),
358 values_(values ? move(values)
359 : SelectionParserValueListPointer(new SelectionParserValueList))
366 * \param[in,out] sel Root of the selection element tree to initialize.
368 * Propagates the \ref SEL_DYNAMIC flag from the children of \p sel to \p sel
369 * (if any child of \p sel is dynamic, \p sel is also marked as such).
370 * The \ref SEL_DYNAMIC flag is also set for \ref SEL_EXPRESSION elements with
372 * Also, sets one of the \ref SEL_SINGLEVAL, \ref SEL_ATOMVAL, or
373 * \ref SEL_VARNUMVAL flags, either based on the children or on the type of
374 * the selection method.
375 * If the types of the children conflict, an error is returned.
377 * The flags of the children of \p sel are also updated if not done earlier.
378 * The flags are initialized only once for any element; if \ref SEL_FLAGSSET
379 * is set for an element, the function returns immediately, and the recursive
380 * operation does not descend beyond such elements.
383 _gmx_selelem_update_flags(const gmx::SelectionTreeElementPointer &sel)
385 bool bUseChildType = false;
386 bool bOnlySingleChildren;
388 /* Return if the flags have already been set */
389 if (sel->flags & SEL_FLAGSSET)
393 /* Set the flags based on the current element type */
398 sel->flags |= SEL_SINGLEVAL;
399 bUseChildType = false;
403 if (sel->u.expr.method->flags & SMETH_DYNAMIC)
405 sel->flags |= SEL_DYNAMIC;
407 if (sel->u.expr.method->flags & SMETH_SINGLEVAL)
409 sel->flags |= SEL_SINGLEVAL;
411 else if (sel->u.expr.method->flags & SMETH_VARNUMVAL)
413 sel->flags |= SEL_VARNUMVAL;
417 sel->flags |= SEL_ATOMVAL;
419 bUseChildType = false;
423 sel->flags |= SEL_ATOMVAL;
424 bUseChildType = false;
428 if (sel->v.type != NO_VALUE)
430 sel->flags |= SEL_VARNUMVAL;
432 bUseChildType = false;
436 bUseChildType = false;
442 bUseChildType = true;
445 /* Loop through children to propagate their flags upwards */
446 bOnlySingleChildren = true;
447 SelectionTreeElementPointer child = sel->child;
450 /* Update the child */
451 _gmx_selelem_update_flags(child);
452 /* Propagate the dynamic and unsorted flags */
453 sel->flags |= (child->flags & (SEL_DYNAMIC | SEL_UNSORTED));
454 /* Propagate the type flag if necessary and check for problems */
457 if ((sel->flags & SEL_VALTYPEMASK)
458 && !(sel->flags & child->flags & SEL_VALTYPEMASK))
460 // TODO: Recollect when this is triggered, and whether the type
462 GMX_THROW(gmx::InvalidInputError("Invalid combination of selection expressions"));
464 sel->flags |= (child->flags & SEL_VALTYPEMASK);
466 if (!(child->flags & SEL_SINGLEVAL))
468 bOnlySingleChildren = false;
473 /* For arithmetic expressions consisting only of single values,
474 * the result is also a single value. */
475 if (sel->type == SEL_ARITHMETIC && bOnlySingleChildren)
477 sel->flags = (sel->flags & ~SEL_VALTYPEMASK) | SEL_SINGLEVAL;
479 /* For root elements, the type should be propagated here, after the
480 * children have been updated. */
481 if (sel->type == SEL_ROOT)
483 GMX_ASSERT(sel->child, "Root elements should always have a child");
484 sel->flags |= (sel->child->flags & SEL_VALTYPEMASK);
486 /* Mark that the flags are set */
487 sel->flags |= SEL_FLAGSSET;
491 * \param[in,out] sel Selection element to initialize.
492 * \param[in] scanner Scanner data structure.
494 * A deep copy of the parameters is made to allow several
495 * expressions with the same method to coexist peacefully.
496 * Calls sel_datafunc() if one is specified for the method.
499 _gmx_selelem_init_method_params(const gmx::SelectionTreeElementPointer &sel,
503 gmx_ana_selparam_t *orgparam;
504 gmx_ana_selparam_t *param;
508 nparams = sel->u.expr.method->nparams;
509 orgparam = sel->u.expr.method->param;
510 snew(param, nparams);
511 memcpy(param, orgparam, nparams*sizeof(gmx_ana_selparam_t));
512 for (i = 0; i < nparams; ++i)
514 param[i].flags &= ~SPAR_SET;
515 _gmx_selvalue_setstore(¶m[i].val, NULL);
516 if (param[i].flags & SPAR_VARNUM)
518 param[i].val.nr = -1;
520 /* Duplicate the enum value array if it is given statically */
521 if ((param[i].flags & SPAR_ENUMVAL) && orgparam[i].val.u.ptr != NULL)
525 /* Count the values */
527 while (orgparam[i].val.u.s[n] != NULL)
531 _gmx_selvalue_reserve(¶m[i].val, n+1);
532 memcpy(param[i].val.u.s, orgparam[i].val.u.s,
533 (n+1)*sizeof(param[i].val.u.s[0]));
537 if (sel->u.expr.method->init_data)
539 mdata = sel->u.expr.method->init_data(nparams, param);
541 if (sel->u.expr.method->set_poscoll)
543 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
545 sel->u.expr.method->set_poscoll(&sc->pcc, mdata);
547 /* Store the values */
548 sel->u.expr.method->param = param;
549 sel->u.expr.mdata = mdata;
553 * \param[in,out] sel Selection element to initialize.
554 * \param[in] method Selection method to set.
555 * \param[in] scanner Scanner data structure.
557 * Makes a copy of \p method and stores it in \p sel->u.expr.method,
558 * and calls _gmx_selelem_init_method_params();
561 _gmx_selelem_set_method(const gmx::SelectionTreeElementPointer &sel,
562 gmx_ana_selmethod_t *method,
565 _gmx_selelem_set_vtype(sel, method->type);
566 sel->setName(method->name);
567 snew(sel->u.expr.method, 1);
568 memcpy(sel->u.expr.method, method, sizeof(gmx_ana_selmethod_t));
569 _gmx_selelem_init_method_params(sel, scanner);
573 * Initializes the reference position calculation for a \ref SEL_EXPRESSION
576 * \param[in,out] pcc Position calculation collection to use.
577 * \param[in,out] sel Selection element to initialize.
578 * \param[in] rpost Reference position type to use (NULL = default).
581 set_refpos_type(gmx::PositionCalculationCollection *pcc,
582 const SelectionTreeElementPointer &sel,
590 if (sel->u.expr.method->pupdate)
592 /* By default, use whole residues/molecules. */
594 = pcc->createCalculationFromEnum(rpost, POS_COMPLWHOLE);
599 = gmx::formatString("Position modifiers ('%s') is not applicable for '%s'",
600 rpost, sel->u.expr.method->name);
601 GMX_THROW(gmx::InvalidInputError(message));
605 gmx::SelectionTreeElementPointer
606 _gmx_sel_init_arithmetic(const gmx::SelectionTreeElementPointer &left,
607 const gmx::SelectionTreeElementPointer &right,
608 char op, yyscan_t scanner)
610 SelectionTreeElementPointer sel(
611 new SelectionTreeElement(
612 SEL_ARITHMETIC, _gmx_sel_lexer_get_current_location(scanner)));
613 sel->v.type = REAL_VALUE;
616 case '+': sel->u.arith.type = ARITH_PLUS; break;
617 case '-': sel->u.arith.type = (right ? ARITH_MINUS : ARITH_NEG); break;
618 case '*': sel->u.arith.type = ARITH_MULT; break;
619 case '/': sel->u.arith.type = ARITH_DIV; break;
620 case '^': sel->u.arith.type = ARITH_EXP; break;
626 sel->u.arith.opstr = gmx_strdup(buf);
628 sel->child->next = right;
633 * \param[in] left Selection element for the left hand side.
634 * \param[in] right Selection element for the right hand side.
635 * \param[in] cmpop String representation of the comparison operator.
636 * \param[in] scanner Scanner data structure.
637 * \returns The created selection element.
639 * This function handles the creation of a gmx::SelectionTreeElement object for
640 * comparison expressions.
642 SelectionTreeElementPointer
643 _gmx_sel_init_comparison(const gmx::SelectionTreeElementPointer &left,
644 const gmx::SelectionTreeElementPointer &right,
645 const char *cmpop, yyscan_t scanner)
647 SelectionTreeElementPointer sel(
648 new SelectionTreeElement(
649 SEL_EXPRESSION, _gmx_sel_lexer_get_current_location(scanner)));
650 _gmx_selelem_set_method(sel, &sm_compare, scanner);
652 SelectionParserParameterList params;
654 // Create the parameter for the left expression.
655 name = left->v.type == INT_VALUE ? "int1" : "real1";
656 params.push_back(SelectionParserParameter::createFromExpression(name, left));
657 // Create the parameter for the right expression.
658 name = right->v.type == INT_VALUE ? "int2" : "real2";
659 params.push_back(SelectionParserParameter::createFromExpression(name, right));
660 // Create the parameter for the operator.
661 // TODO: Consider whether a proper location is needed.
662 SelectionLocation location(SelectionLocation::createEmpty());
664 SelectionParserParameter::create(
665 "op", SelectionParserValue::createString(cmpop, location),
667 _gmx_sel_parse_params(params, sel->u.expr.method->nparams,
668 sel->u.expr.method->param, sel, scanner);
674 * Implementation method for keyword expression creation.
676 * \param[in] method Method to use.
677 * \param[in] matchType String matching type (only used if \p method is
678 * a string keyword and \p args is not empty.
679 * \param[in] args Pointer to the first argument.
680 * \param[in] rpost Reference position type to use (NULL = default).
681 * \param[in] scanner Scanner data structure.
682 * \returns The created selection element.
684 * This function handles the creation of a gmx::SelectionTreeElement object for
685 * selection methods that do not take parameters.
687 static SelectionTreeElementPointer
688 init_keyword_internal(gmx_ana_selmethod_t *method,
689 gmx::SelectionStringMatchType matchType,
690 SelectionParserValueListPointer args,
691 const char *rpost, yyscan_t scanner)
693 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
695 if (method->nparams > 0)
697 // TODO: Would assert be better?
698 GMX_THROW(gmx::InternalError(
699 "Keyword initialization called with non-keyword method"));
702 const SelectionLocation &location = _gmx_sel_lexer_get_current_location(scanner);
703 // TODO: If there are arguments, the location would be better as just the
704 // location of the keyword itself.
705 SelectionTreeElementPointer root(new SelectionTreeElement(SEL_EXPRESSION, location));
706 SelectionTreeElementPointer child = root;
707 _gmx_selelem_set_method(child, method, scanner);
709 /* Initialize the evaluation of keyword matching if values are provided */
712 gmx_ana_selmethod_t *kwmethod;
713 switch (method->type)
715 case INT_VALUE: kwmethod = &sm_keyword_int; break;
716 case REAL_VALUE: kwmethod = &sm_keyword_real; break;
717 case STR_VALUE: kwmethod = &sm_keyword_str; break;
719 GMX_THROW(gmx::InternalError(
720 "Unknown type for keyword selection"));
722 /* Initialize the selection element */
723 root.reset(new SelectionTreeElement(SEL_EXPRESSION, location));
724 _gmx_selelem_set_method(root, kwmethod, scanner);
725 if (method->type == STR_VALUE)
727 _gmx_selelem_set_kwstr_match_type(root, matchType);
729 SelectionParserParameterList params;
731 SelectionParserParameter::createFromExpression(NULL, child));
733 SelectionParserParameter::create(NULL, move(args), location));
734 _gmx_sel_parse_params(params, root->u.expr.method->nparams,
735 root->u.expr.method->param, root, scanner);
737 set_refpos_type(&sc->pcc, child, rpost);
743 * \param[in] method Method to use.
744 * \param[in] args Pointer to the first argument.
745 * \param[in] rpost Reference position type to use (NULL = default).
746 * \param[in] scanner Scanner data structure.
747 * \returns The created selection element.
749 * This function handles the creation of a gmx::SelectionTreeElement object for
750 * selection methods that do not take parameters.
752 SelectionTreeElementPointer
753 _gmx_sel_init_keyword(gmx_ana_selmethod_t *method,
754 gmx::SelectionParserValueListPointer args,
755 const char *rpost, yyscan_t scanner)
757 return init_keyword_internal(method, gmx::eStringMatchType_Auto, move(args),
762 * \param[in] method Method to use.
763 * \param[in] matchType String matching type.
764 * \param[in] args Pointer to the first argument.
765 * \param[in] rpost Reference position type to use (NULL = default).
766 * \param[in] scanner Scanner data structure.
767 * \returns The created selection element.
769 * This function handles the creation of a gmx::SelectionTreeElement object for
770 * keyword string matching.
772 SelectionTreeElementPointer
773 _gmx_sel_init_keyword_strmatch(gmx_ana_selmethod_t *method,
774 gmx::SelectionStringMatchType matchType,
775 gmx::SelectionParserValueListPointer args,
776 const char *rpost, yyscan_t scanner)
778 GMX_RELEASE_ASSERT(method->type == STR_VALUE,
779 "String keyword method called for a non-string-valued method");
780 GMX_RELEASE_ASSERT(args && !args->empty(),
781 "String keyword matching method called without any values");
782 return init_keyword_internal(method, matchType, move(args), rpost, scanner);
786 * \param[in] method Method to use for initialization.
787 * \param[in] group Selection in which the keyword should be evaluated.
788 * \param[in] rpost Reference position type to use (NULL = default).
789 * \param[in] scanner Scanner data structure.
790 * \returns The created selection element.
792 * This function handles the creation of a gmx::SelectionTreeElement object for
793 * expressions like "z of ...".
795 SelectionTreeElementPointer
796 _gmx_sel_init_keyword_of(gmx_ana_selmethod_t *method,
797 const gmx::SelectionTreeElementPointer &group,
798 const char *rpost, yyscan_t scanner)
800 // TODO Provide an error if rpost is provided.
801 GMX_UNUSED_VALUE(rpost);
802 return _gmx_sel_init_keyword_evaluator(method, group, scanner);
806 * \param[in] method Method to use for initialization.
807 * \param[in] params Pointer to the first parameter.
808 * \param[in] rpost Reference position type to use (NULL = default).
809 * \param[in] scanner Scanner data structure.
810 * \returns The created selection element.
812 * This function handles the creation of a gmx::SelectionTreeElement object for
813 * selection methods that take parameters.
815 * Part of the behavior of the \c same selection keyword is hardcoded into
816 * this function (or rather, into _gmx_selelem_custom_init_same()) to allow the
817 * use of any keyword in \c "same KEYWORD as" without requiring special
818 * handling somewhere else (or sacrificing the simple syntax).
820 SelectionTreeElementPointer
821 _gmx_sel_init_method(gmx_ana_selmethod_t *method,
822 gmx::SelectionParserParameterListPointer params,
823 const char *rpost, yyscan_t scanner)
825 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
827 _gmx_sel_finish_method(scanner);
828 /* The "same" keyword needs some custom massaging of the parameters. */
829 _gmx_selelem_custom_init_same(&method, params, scanner);
830 SelectionTreeElementPointer root(
831 new SelectionTreeElement(
832 SEL_EXPRESSION, _gmx_sel_lexer_get_current_location(scanner)));
833 _gmx_selelem_set_method(root, method, scanner);
834 /* Process the parameters */
835 _gmx_sel_parse_params(*params, root->u.expr.method->nparams,
836 root->u.expr.method->param, root, scanner);
837 set_refpos_type(&sc->pcc, root, rpost);
843 * \param[in] method Modifier to use for initialization.
844 * \param[in] params Pointer to the first parameter.
845 * \param[in] sel Selection element that the modifier should act on.
846 * \param[in] scanner Scanner data structure.
847 * \returns The created selection element.
849 * This function handles the creation of a gmx::SelectionTreeElement object for
850 * selection modifiers.
852 SelectionTreeElementPointer
853 _gmx_sel_init_modifier(gmx_ana_selmethod_t *method,
854 gmx::SelectionParserParameterListPointer params,
855 const gmx::SelectionTreeElementPointer &sel,
858 _gmx_sel_finish_method(scanner);
859 SelectionTreeElementPointer modifier(
860 new SelectionTreeElement(
861 SEL_MODIFIER, _gmx_sel_lexer_get_current_location(scanner)));
862 _gmx_selelem_set_method(modifier, method, scanner);
863 SelectionTreeElementPointer root;
864 if (method->type == NO_VALUE)
866 SelectionTreeElementPointer child = sel;
871 child->next = modifier;
877 SelectionParserParameter::createFromExpression(NULL, sel));
880 /* Process the parameters */
881 _gmx_sel_parse_params(*params, modifier->u.expr.method->nparams,
882 modifier->u.expr.method->param, modifier, scanner);
888 * \param[in] expr Input selection element for the position calculation.
889 * \param[in] type Reference position type or NULL for default.
890 * \param[in] scanner Scanner data structure.
891 * \returns The created selection element.
893 * This function handles the creation of a gmx::SelectionTreeElement object for
894 * evaluation of reference positions.
896 SelectionTreeElementPointer
897 _gmx_sel_init_position(const gmx::SelectionTreeElementPointer &expr,
898 const char *type, yyscan_t scanner)
900 SelectionTreeElementPointer root(
901 new SelectionTreeElement(
902 SEL_EXPRESSION, _gmx_sel_lexer_get_current_location(scanner)));
903 _gmx_selelem_set_method(root, &sm_keyword_pos, scanner);
904 _gmx_selelem_set_kwpos_type(root.get(), type);
905 /* Create the parameters for the parameter parser. */
906 SelectionParserParameterList params;
907 params.push_back(SelectionParserParameter::createFromExpression(NULL, expr));
908 /* Parse the parameters. */
909 _gmx_sel_parse_params(params, root->u.expr.method->nparams,
910 root->u.expr.method->param, root, scanner);
916 * \param[in] x,y,z Coordinates for the position.
917 * \param[in] scanner Scanner data structure.
918 * \returns The creates selection element.
920 SelectionTreeElementPointer
921 _gmx_sel_init_const_position(real x, real y, real z, yyscan_t scanner)
925 SelectionTreeElementPointer sel(
926 new SelectionTreeElement(
927 SEL_CONST, _gmx_sel_lexer_get_current_location(scanner)));
928 _gmx_selelem_set_vtype(sel, POS_VALUE);
929 _gmx_selvalue_reserve(&sel->v, 1);
933 gmx_ana_pos_init_const(sel->v.u.p, pos);
938 * \param[in] name Name of an index group to search for.
939 * \param[in] scanner Scanner data structure.
940 * \returns The created selection element.
942 * See gmx_ana_indexgrps_find() for information on how \p name is matched
943 * against the index groups.
945 SelectionTreeElementPointer
946 _gmx_sel_init_group_by_name(const char *name, yyscan_t scanner)
949 SelectionTreeElementPointer sel(
950 new SelectionTreeElement(
951 SEL_GROUPREF, _gmx_sel_lexer_get_current_location(scanner)));
952 _gmx_selelem_set_vtype(sel, GROUP_VALUE);
953 sel->setName(gmx::formatString("group \"%s\"", name));
954 sel->u.gref.name = gmx_strdup(name);
957 if (_gmx_sel_lexer_has_groups_set(scanner))
959 gmx_ana_indexgrps_t *grps = _gmx_sel_lexer_indexgrps(scanner);
960 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
961 sel->resolveIndexGroupReference(grps, sc->gall.isize);
968 * \param[in] id Zero-based index number of the group to extract.
969 * \param[in] scanner Scanner data structure.
970 * \returns The created selection element.
972 SelectionTreeElementPointer
973 _gmx_sel_init_group_by_id(int id, yyscan_t scanner)
975 SelectionTreeElementPointer sel(
976 new SelectionTreeElement(
977 SEL_GROUPREF, _gmx_sel_lexer_get_current_location(scanner)));
978 _gmx_selelem_set_vtype(sel, GROUP_VALUE);
979 sel->setName(gmx::formatString("group %d", id));
980 sel->u.gref.name = NULL;
983 if (_gmx_sel_lexer_has_groups_set(scanner))
985 gmx_ana_indexgrps_t *grps = _gmx_sel_lexer_indexgrps(scanner);
986 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
987 sel->resolveIndexGroupReference(grps, sc->gall.isize);
994 * \param[in,out] sel Value of the variable.
995 * \param scanner Scanner data structure.
996 * \returns The created selection element that references \p sel.
998 * The reference count of \p sel is updated, but no other modifications are
1001 SelectionTreeElementPointer
1002 _gmx_sel_init_variable_ref(const gmx::SelectionTreeElementPointer &sel,
1005 SelectionTreeElementPointer ref;
1007 if (sel->v.type == POS_VALUE && sel->type == SEL_CONST)
1013 ref.reset(new SelectionTreeElement(
1014 SEL_SUBEXPRREF, _gmx_sel_lexer_get_current_location(scanner)));
1015 _gmx_selelem_set_vtype(ref, sel->v.type);
1016 ref->setName(sel->name());
1023 * \param[in] name Name for the selection
1024 * (if NULL, a default name is constructed).
1025 * \param[in] sel The selection element that evaluates the selection.
1026 * \param scanner Scanner data structure.
1027 * \returns The created root selection element.
1029 * This function handles the creation of root (\ref SEL_ROOT)
1030 * gmx::SelectionTreeElement objects for selections.
1032 SelectionTreeElementPointer
1033 _gmx_sel_init_selection(const char *name,
1034 const gmx::SelectionTreeElementPointer &sel,
1037 if (sel->v.type != POS_VALUE)
1039 /* FIXME: Better handling of this error */
1040 GMX_THROW(gmx::InternalError(
1041 "Each selection must evaluate to a position"));
1044 SelectionTreeElementPointer root(
1045 new SelectionTreeElement(
1046 SEL_ROOT, _gmx_sel_lexer_get_current_location(scanner)));
1050 root->setName(name);
1052 /* Update the flags */
1053 _gmx_selelem_update_flags(root);
1054 gmx::ExceptionInitializer errors("Invalid index group reference(s)");
1055 root->checkUnsortedAtoms(true, &errors);
1056 if (errors.hasNestedExceptions())
1058 GMX_THROW(gmx::InconsistentInputError(errors));
1061 root->fillNameIfMissing(_gmx_sel_lexer_pselstr(scanner));
1063 /* Print out some information if the parser is interactive */
1064 if (_gmx_sel_is_lexer_interactive(scanner))
1066 fprintf(stderr, "Selection '%s' parsed\n",
1067 _gmx_sel_lexer_pselstr(scanner));
1075 * \param[in] name Name of the variable.
1076 * \param[in] expr The selection element that evaluates the variable.
1077 * \param scanner Scanner data structure.
1078 * \returns The created root selection element.
1080 * This function handles the creation of root gmx::SelectionTreeElement objects
1081 * for variable assignments. A \ref SEL_ROOT element and a \ref SEL_SUBEXPR
1082 * element are both created.
1084 SelectionTreeElementPointer
1085 _gmx_sel_assign_variable(const char *name,
1086 const gmx::SelectionTreeElementPointer &expr,
1089 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
1090 const char *pselstr = _gmx_sel_lexer_pselstr(scanner);
1091 SelectionTreeElementPointer root;
1093 _gmx_selelem_update_flags(expr);
1094 /* Check if this is a constant non-group value */
1095 if (expr->type == SEL_CONST && expr->v.type != GROUP_VALUE)
1097 /* If so, just assign the constant value to the variable */
1098 sc->symtab->addVariable(name, expr);
1100 /* Check if we are assigning a variable to another variable */
1101 else if (expr->type == SEL_SUBEXPRREF)
1103 /* If so, make a simple alias */
1104 sc->symtab->addVariable(name, expr->child);
1108 SelectionLocation location(_gmx_sel_lexer_get_current_location(scanner));
1109 /* Create the root element */
1110 root.reset(new SelectionTreeElement(SEL_ROOT, location));
1111 root->setName(name);
1112 /* Create the subexpression element */
1113 root->child.reset(new SelectionTreeElement(SEL_SUBEXPR, location));
1114 root->child->setName(name);
1115 _gmx_selelem_set_vtype(root->child, expr->v.type);
1116 root->child->child = expr;
1118 _gmx_selelem_update_flags(root);
1119 gmx::ExceptionInitializer errors("Invalid index group reference(s)");
1120 root->checkUnsortedAtoms(true, &errors);
1121 if (errors.hasNestedExceptions())
1123 GMX_THROW(gmx::InconsistentInputError(errors));
1125 /* Add the variable to the symbol table */
1126 sc->symtab->addVariable(name, root->child);
1128 srenew(sc->varstrs, sc->nvars + 1);
1129 sc->varstrs[sc->nvars] = gmx_strdup(pselstr);
1131 if (_gmx_sel_is_lexer_interactive(scanner))
1133 fprintf(stderr, "Variable '%s' parsed\n", pselstr);
1139 * \param sel Selection to append (can be NULL, in which
1140 * case nothing is done).
1141 * \param last Last selection, or NULL if not present or not known.
1142 * \param scanner Scanner data structure.
1143 * \returns The last selection after the append.
1145 * Appends \p sel after the last root element, and returns either \p sel
1146 * (if it was non-NULL) or the last element (if \p sel was NULL).
1148 SelectionTreeElementPointer
1149 _gmx_sel_append_selection(const gmx::SelectionTreeElementPointer &sel,
1150 gmx::SelectionTreeElementPointer last,
1153 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
1155 /* Append sel after last, or the last element of sc if last is NULL */
1176 /* Initialize a selection object if necessary */
1180 /* Add the new selection to the collection if it is not a variable. */
1181 if (sel->child->type != SEL_SUBEXPR)
1183 gmx::SelectionDataPointer selPtr(
1184 new gmx::internal::SelectionData(
1185 sel.get(), _gmx_sel_lexer_pselstr(scanner)));
1186 sc->sel.push_back(gmx::move(selPtr));
1189 /* Clear the selection string now that we've saved it */
1190 _gmx_sel_lexer_clear_pselstr(scanner);
1195 * \param[in] scanner Scanner data structure.
1196 * \returns true if the parser should finish, false if parsing should
1199 * This function is called always after _gmx_sel_append_selection() to
1200 * check whether a sufficient number of selections has already been provided.
1201 * This is used to terminate interactive parsers when the correct number of
1202 * selections has been provided.
1205 _gmx_sel_parser_should_finish(yyscan_t scanner)
1207 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
1208 return (int)sc->sel.size() == _gmx_sel_lexer_exp_selcount(scanner);