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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/legacyheaders/smalloc.h"
230 #include "gromacs/legacyheaders/string2.h"
232 #include "gromacs/selection/poscalc.h"
233 #include "gromacs/selection/selection.h"
234 #include "gromacs/selection/selmethod.h"
235 #include "gromacs/utility/exceptions.h"
236 #include "gromacs/utility/file.h"
237 #include "gromacs/utility/messagestringcollector.h"
238 #include "gromacs/utility/stringutil.h"
240 #include "keywords.h"
241 #include "parsetree.h"
242 #include "selectioncollection-impl.h"
248 using gmx::SelectionParserValue;
249 using gmx::SelectionParserValueList;
250 using gmx::SelectionParserValueListPointer;
251 using gmx::SelectionParserParameter;
252 using gmx::SelectionParserParameterList;
253 using gmx::SelectionParserParameterListPointer;
254 using gmx::SelectionParserValue;
255 using gmx::SelectionTreeElement;
256 using gmx::SelectionTreeElementPointer;
259 _gmx_selparser_error(yyscan_t scanner, const char *fmt, ...)
261 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
262 // FIXME: Use an arbitrary length buffer.
266 vsprintf(buf, fmt, ap);
272 _gmx_selparser_handle_exception(yyscan_t scanner, const std::exception &ex)
274 if (dynamic_cast<const gmx::UserInputError *>(&ex) != NULL)
276 // TODO: Consider whether also the non-interactive parser should
277 // postpone the exception such that the whole selection can be added as
279 if (_gmx_sel_is_lexer_interactive(scanner))
281 // TODO: Handle exceptions that printing the message may produce.
282 gmx::formatExceptionMessageToFile(stderr, ex);
286 _gmx_sel_lexer_set_exception(scanner, boost::current_exception());
293 /********************************************************************
294 * SelectionParserValue
297 SelectionParserValue::SelectionParserValue(e_selvalue_t type)
300 memset(&u, 0, sizeof(u));
303 SelectionParserValue::SelectionParserValue(
304 const SelectionTreeElementPointer &expr)
305 : type(expr->v.type), expr(expr)
307 memset(&u, 0, sizeof(u));
310 /********************************************************************
311 * SelectionParserParameter
314 SelectionParserParameter::SelectionParserParameter(
316 SelectionParserValueListPointer values)
317 : name_(name != NULL ? name : ""),
318 values_(values ? move(values)
319 : SelectionParserValueListPointer(new SelectionParserValueList))
326 * \param[in,out] sel Root of the selection element tree to initialize.
327 * \param[in] scanner Scanner data structure.
328 * \returns 0 on success, an error code on error.
330 * Propagates the \ref SEL_DYNAMIC flag from the children of \p sel to \p sel
331 * (if any child of \p sel is dynamic, \p sel is also marked as such).
332 * The \ref SEL_DYNAMIC flag is also set for \ref SEL_EXPRESSION elements with
334 * Also, sets one of the \ref SEL_SINGLEVAL, \ref SEL_ATOMVAL, or
335 * \ref SEL_VARNUMVAL flags, either based on the children or on the type of
336 * the selection method.
337 * If the types of the children conflict, an error is returned.
339 * The flags of the children of \p sel are also updated if not done earlier.
340 * The flags are initialized only once for any element; if \ref SEL_FLAGSSET
341 * is set for an element, the function returns immediately, and the recursive
342 * operation does not descend beyond such elements.
345 _gmx_selelem_update_flags(const gmx::SelectionTreeElementPointer &sel,
348 bool bUseChildType = false;
349 bool bOnlySingleChildren;
351 /* Return if the flags have already been set */
352 if (sel->flags & SEL_FLAGSSET)
356 /* Set the flags based on the current element type */
361 sel->flags |= SEL_SINGLEVAL;
362 bUseChildType = false;
366 if (sel->u.expr.method->flags & SMETH_DYNAMIC)
368 sel->flags |= SEL_DYNAMIC;
370 if (sel->u.expr.method->flags & SMETH_SINGLEVAL)
372 sel->flags |= SEL_SINGLEVAL;
374 else if (sel->u.expr.method->flags & SMETH_VARNUMVAL)
376 sel->flags |= SEL_VARNUMVAL;
380 sel->flags |= SEL_ATOMVAL;
382 bUseChildType = false;
386 sel->flags |= SEL_ATOMVAL;
387 bUseChildType = false;
391 if (sel->v.type != NO_VALUE)
393 sel->flags |= SEL_VARNUMVAL;
395 bUseChildType = false;
399 bUseChildType = false;
405 bUseChildType = true;
408 /* Loop through children to propagate their flags upwards */
409 bOnlySingleChildren = true;
410 SelectionTreeElementPointer child = sel->child;
413 /* Update the child */
414 _gmx_selelem_update_flags(child, scanner);
415 /* Propagate the dynamic flag */
416 sel->flags |= (child->flags & SEL_DYNAMIC);
417 /* Propagate the type flag if necessary and check for problems */
420 if ((sel->flags & SEL_VALTYPEMASK)
421 && !(sel->flags & child->flags & SEL_VALTYPEMASK))
423 _gmx_selparser_error(scanner, "invalid combination of selection expressions");
424 // FIXME: Use an exception.
427 sel->flags |= (child->flags & SEL_VALTYPEMASK);
429 if (!(child->flags & SEL_SINGLEVAL))
431 bOnlySingleChildren = false;
436 /* For arithmetic expressions consisting only of single values,
437 * the result is also a single value. */
438 if (sel->type == SEL_ARITHMETIC && bOnlySingleChildren)
440 sel->flags = (sel->flags & ~SEL_VALTYPEMASK) | SEL_SINGLEVAL;
442 /* For root elements, the type should be propagated here, after the
443 * children have been updated. */
444 if (sel->type == SEL_ROOT)
446 GMX_ASSERT(sel->child, "Root elements should always have a child");
447 sel->flags |= (sel->child->flags & SEL_VALTYPEMASK);
449 /* Mark that the flags are set */
450 sel->flags |= SEL_FLAGSSET;
454 * \param[in,out] sel Selection element to initialize.
455 * \param[in] scanner Scanner data structure.
457 * A deep copy of the parameters is made to allow several
458 * expressions with the same method to coexist peacefully.
459 * Calls sel_datafunc() if one is specified for the method.
462 _gmx_selelem_init_method_params(const gmx::SelectionTreeElementPointer &sel,
466 gmx_ana_selparam_t *orgparam;
467 gmx_ana_selparam_t *param;
471 nparams = sel->u.expr.method->nparams;
472 orgparam = sel->u.expr.method->param;
473 snew(param, nparams);
474 memcpy(param, orgparam, nparams*sizeof(gmx_ana_selparam_t));
475 for (i = 0; i < nparams; ++i)
477 param[i].flags &= ~SPAR_SET;
478 _gmx_selvalue_setstore(¶m[i].val, NULL);
479 if (param[i].flags & SPAR_VARNUM)
481 param[i].val.nr = -1;
483 /* Duplicate the enum value array if it is given statically */
484 if ((param[i].flags & SPAR_ENUMVAL) && orgparam[i].val.u.ptr != NULL)
488 /* Count the values */
490 while (orgparam[i].val.u.s[n] != NULL)
494 _gmx_selvalue_reserve(¶m[i].val, n+1);
495 memcpy(param[i].val.u.s, orgparam[i].val.u.s,
496 (n+1)*sizeof(param[i].val.u.s[0]));
500 if (sel->u.expr.method->init_data)
502 mdata = sel->u.expr.method->init_data(nparams, param);
504 if (sel->u.expr.method->set_poscoll)
506 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
508 sel->u.expr.method->set_poscoll(&sc->pcc, mdata);
510 /* Store the values */
511 sel->u.expr.method->param = param;
512 sel->u.expr.mdata = mdata;
516 * \param[in,out] sel Selection element to initialize.
517 * \param[in] method Selection method to set.
518 * \param[in] scanner Scanner data structure.
520 * Makes a copy of \p method and stores it in \p sel->u.expr.method,
521 * and calls _gmx_selelem_init_method_params();
524 _gmx_selelem_set_method(const gmx::SelectionTreeElementPointer &sel,
525 gmx_ana_selmethod_t *method,
528 _gmx_selelem_set_vtype(sel, method->type);
529 sel->setName(method->name);
530 snew(sel->u.expr.method, 1);
531 memcpy(sel->u.expr.method, method, sizeof(gmx_ana_selmethod_t));
532 _gmx_selelem_init_method_params(sel, scanner);
536 * Initializes the reference position calculation for a \ref SEL_EXPRESSION
539 * \param[in,out] pcc Position calculation collection to use.
540 * \param[in,out] sel Selection element to initialize.
541 * \param[in] rpost Reference position type to use (NULL = default).
542 * \param[in] scanner Scanner data structure.
543 * \returns 0 on success, a non-zero error code on error.
546 set_refpos_type(gmx::PositionCalculationCollection *pcc,
547 const SelectionTreeElementPointer &sel,
548 const char *rpost, yyscan_t scanner)
555 if (sel->u.expr.method->pupdate)
557 /* By default, use whole residues/molecules. */
559 = pcc->createCalculationFromEnum(rpost, POS_COMPLWHOLE);
563 // TODO: Should this be treated as a real error?
564 _gmx_selparser_error(scanner, "modifier '%s' is not applicable for '%s'",
565 rpost, sel->u.expr.method->name);
569 gmx::SelectionTreeElementPointer
570 _gmx_sel_init_arithmetic(const gmx::SelectionTreeElementPointer &left,
571 const gmx::SelectionTreeElementPointer &right,
572 char op, yyscan_t /* scanner */)
574 SelectionTreeElementPointer sel(new SelectionTreeElement(SEL_ARITHMETIC));
575 sel->v.type = REAL_VALUE;
578 case '+': sel->u.arith.type = ARITH_PLUS; break;
579 case '-': sel->u.arith.type = (right ? ARITH_MINUS : ARITH_NEG); break;
580 case '*': sel->u.arith.type = ARITH_MULT; break;
581 case '/': sel->u.arith.type = ARITH_DIV; break;
582 case '^': sel->u.arith.type = ARITH_EXP; break;
588 sel->u.arith.opstr = strdup(buf);
590 sel->child->next = right;
595 * \param[in] left Selection element for the left hand side.
596 * \param[in] right Selection element for the right hand side.
597 * \param[in] cmpop String representation of the comparison operator.
598 * \param[in] scanner Scanner data structure.
599 * \returns The created selection element.
601 * This function handles the creation of a gmx::SelectionTreeElement object for
602 * comparison expressions.
604 SelectionTreeElementPointer
605 _gmx_sel_init_comparison(const gmx::SelectionTreeElementPointer &left,
606 const gmx::SelectionTreeElementPointer &right,
607 const char *cmpop, yyscan_t scanner)
609 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
610 gmx::MessageStringContext context(errors, "In comparison initialization");
612 SelectionTreeElementPointer sel(new SelectionTreeElement(SEL_EXPRESSION));
613 _gmx_selelem_set_method(sel, &sm_compare, scanner);
615 SelectionParserParameterList params;
617 // Create the parameter for the left expression.
618 name = left->v.type == INT_VALUE ? "int1" : "real1";
619 params.push_back(SelectionParserParameter::createFromExpression(name, left));
620 // Create the parameter for the right expression.
621 name = right->v.type == INT_VALUE ? "int2" : "real2";
622 params.push_back(SelectionParserParameter::createFromExpression(name, right));
623 // Create the parameter for the operator.
625 SelectionParserParameter::create(
626 "op", SelectionParserValue::createString(cmpop)));
627 if (!_gmx_sel_parse_params(params, sel->u.expr.method->nparams,
628 sel->u.expr.method->param, sel, scanner))
630 return SelectionTreeElementPointer();
637 * Implementation method for keyword expression creation.
639 * \param[in] method Method to use.
640 * \param[in] matchType String matching type (only used if \p method is
641 * a string keyword and \p args is not empty.
642 * \param[in] args Pointer to the first argument.
643 * \param[in] rpost Reference position type to use (NULL = default).
644 * \param[in] scanner Scanner data structure.
645 * \returns The created selection element.
647 * This function handles the creation of a gmx::SelectionTreeElement object for
648 * selection methods that do not take parameters.
650 static SelectionTreeElementPointer
651 init_keyword_internal(gmx_ana_selmethod_t *method,
652 gmx::SelectionStringMatchType matchType,
653 SelectionParserValueListPointer args,
654 const char *rpost, yyscan_t scanner)
656 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
658 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
660 sprintf(buf, "In keyword '%s'", method->name);
661 gmx::MessageStringContext context(errors, buf);
663 if (method->nparams > 0)
665 // TODO: Would assert be better?
666 GMX_THROW(gmx::InternalError(
667 "Keyword initialization called with non-keyword method"));
670 SelectionTreeElementPointer root(new SelectionTreeElement(SEL_EXPRESSION));
671 SelectionTreeElementPointer child = root;
672 _gmx_selelem_set_method(child, method, scanner);
674 /* Initialize the evaluation of keyword matching if values are provided */
677 gmx_ana_selmethod_t *kwmethod;
678 switch (method->type)
680 case INT_VALUE: kwmethod = &sm_keyword_int; break;
681 case REAL_VALUE: kwmethod = &sm_keyword_real; break;
682 case STR_VALUE: kwmethod = &sm_keyword_str; break;
684 GMX_THROW(gmx::InternalError(
685 "Unknown type for keyword selection"));
687 /* Initialize the selection element */
688 root.reset(new SelectionTreeElement(SEL_EXPRESSION));
689 _gmx_selelem_set_method(root, kwmethod, scanner);
690 if (method->type == STR_VALUE)
692 _gmx_selelem_set_kwstr_match_type(root, matchType);
694 SelectionParserParameterList params;
696 SelectionParserParameter::createFromExpression(NULL, child));
697 params.push_back(SelectionParserParameter::create(NULL, move(args)));
698 if (!_gmx_sel_parse_params(params, root->u.expr.method->nparams,
699 root->u.expr.method->param, root, scanner))
701 return SelectionTreeElementPointer();
704 set_refpos_type(&sc->pcc, child, rpost, scanner);
710 * \param[in] method Method to use.
711 * \param[in] args Pointer to the first argument.
712 * \param[in] rpost Reference position type to use (NULL = default).
713 * \param[in] scanner Scanner data structure.
714 * \returns The created selection element.
716 * This function handles the creation of a gmx::SelectionTreeElement object for
717 * selection methods that do not take parameters.
719 SelectionTreeElementPointer
720 _gmx_sel_init_keyword(gmx_ana_selmethod_t *method,
721 gmx::SelectionParserValueListPointer args,
722 const char *rpost, yyscan_t scanner)
724 return init_keyword_internal(method, gmx::eStringMatchType_Auto, move(args),
729 * \param[in] method Method to use.
730 * \param[in] matchType String matching type.
731 * \param[in] args Pointer to the first argument.
732 * \param[in] rpost Reference position type to use (NULL = default).
733 * \param[in] scanner Scanner data structure.
734 * \returns The created selection element.
736 * This function handles the creation of a gmx::SelectionTreeElement object for
737 * keyword string matching.
739 SelectionTreeElementPointer
740 _gmx_sel_init_keyword_strmatch(gmx_ana_selmethod_t *method,
741 gmx::SelectionStringMatchType matchType,
742 gmx::SelectionParserValueListPointer args,
743 const char *rpost, yyscan_t scanner)
745 GMX_RELEASE_ASSERT(method->type == STR_VALUE,
746 "String keyword method called for a non-string-valued method");
747 GMX_RELEASE_ASSERT(args && !args->empty(),
748 "String keyword matching method called without any values");
749 return init_keyword_internal(method, matchType, move(args), rpost, scanner);
753 * \param[in] method Method to use for initialization.
754 * \param[in] params Pointer to the first parameter.
755 * \param[in] rpost Reference position type to use (NULL = default).
756 * \param[in] scanner Scanner data structure.
757 * \returns The created selection element.
759 * This function handles the creation of a gmx::SelectionTreeElement object for
760 * selection methods that take parameters.
762 * Part of the behavior of the \c same selection keyword is hardcoded into
763 * this function (or rather, into _gmx_selelem_custom_init_same()) to allow the
764 * use of any keyword in \c "same KEYWORD as" without requiring special
765 * handling somewhere else (or sacrificing the simple syntax).
767 SelectionTreeElementPointer
768 _gmx_sel_init_method(gmx_ana_selmethod_t *method,
769 gmx::SelectionParserParameterListPointer params,
770 const char *rpost, yyscan_t scanner)
772 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
775 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
777 sprintf(buf, "In keyword '%s'", method->name);
778 gmx::MessageStringContext context(errors, buf);
780 _gmx_sel_finish_method(scanner);
781 /* The "same" keyword needs some custom massaging of the parameters. */
782 rc = _gmx_selelem_custom_init_same(&method, params, scanner);
785 return SelectionTreeElementPointer();
787 SelectionTreeElementPointer root(new SelectionTreeElement(SEL_EXPRESSION));
788 _gmx_selelem_set_method(root, method, scanner);
789 /* Process the parameters */
790 if (!_gmx_sel_parse_params(*params, root->u.expr.method->nparams,
791 root->u.expr.method->param, root, scanner))
793 return SelectionTreeElementPointer();
795 set_refpos_type(&sc->pcc, root, rpost, scanner);
801 * \param[in] method Modifier to use for initialization.
802 * \param[in] params Pointer to the first parameter.
803 * \param[in] sel Selection element that the modifier should act on.
804 * \param[in] scanner Scanner data structure.
805 * \returns The created selection element.
807 * This function handles the creation of a gmx::SelectionTreeElement object for
808 * selection modifiers.
810 SelectionTreeElementPointer
811 _gmx_sel_init_modifier(gmx_ana_selmethod_t *method,
812 gmx::SelectionParserParameterListPointer params,
813 const gmx::SelectionTreeElementPointer &sel,
816 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
818 sprintf(buf, "In keyword '%s'", method->name);
819 gmx::MessageStringContext context(errors, buf);
821 _gmx_sel_finish_method(scanner);
822 SelectionTreeElementPointer modifier(new SelectionTreeElement(SEL_MODIFIER));
823 _gmx_selelem_set_method(modifier, method, scanner);
824 SelectionTreeElementPointer root;
825 if (method->type == NO_VALUE)
827 SelectionTreeElementPointer child = sel;
832 child->next = modifier;
838 SelectionParserParameter::createFromExpression(NULL, sel));
841 /* Process the parameters */
842 if (!_gmx_sel_parse_params(*params, modifier->u.expr.method->nparams,
843 modifier->u.expr.method->param, modifier, scanner))
845 return SelectionTreeElementPointer();
852 * \param[in] expr Input selection element for the position calculation.
853 * \param[in] type Reference position type or NULL for default.
854 * \param[in] scanner Scanner data structure.
855 * \returns The created selection element.
857 * This function handles the creation of a gmx::SelectionTreeElement object for
858 * evaluation of reference positions.
860 SelectionTreeElementPointer
861 _gmx_sel_init_position(const gmx::SelectionTreeElementPointer &expr,
862 const char *type, yyscan_t scanner)
864 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
866 sprintf(buf, "In position evaluation");
867 gmx::MessageStringContext context(errors, buf);
869 SelectionTreeElementPointer root(new SelectionTreeElement(SEL_EXPRESSION));
870 _gmx_selelem_set_method(root, &sm_keyword_pos, scanner);
871 _gmx_selelem_set_kwpos_type(root.get(), type);
872 /* Create the parameters for the parameter parser. */
873 SelectionParserParameterList params;
874 params.push_back(SelectionParserParameter::createFromExpression(NULL, expr));
875 /* Parse the parameters. */
876 if (!_gmx_sel_parse_params(params, root->u.expr.method->nparams,
877 root->u.expr.method->param, root, scanner))
879 return SelectionTreeElementPointer();
886 * \param[in] x,y,z Coordinates for the position.
887 * \returns The creates selection element.
889 SelectionTreeElementPointer
890 _gmx_sel_init_const_position(real x, real y, real z)
894 SelectionTreeElementPointer sel(new SelectionTreeElement(SEL_CONST));
895 _gmx_selelem_set_vtype(sel, POS_VALUE);
896 _gmx_selvalue_reserve(&sel->v, 1);
900 gmx_ana_pos_init_const(sel->v.u.p, pos);
905 * \param[in] name Name of an index group to search for.
906 * \param[in] scanner Scanner data structure.
907 * \returns The created selection element.
909 * See gmx_ana_indexgrps_find() for information on how \p name is matched
910 * against the index groups.
912 SelectionTreeElementPointer
913 _gmx_sel_init_group_by_name(const char *name, yyscan_t scanner)
916 SelectionTreeElementPointer sel(new SelectionTreeElement(SEL_GROUPREF));
917 _gmx_selelem_set_vtype(sel, GROUP_VALUE);
918 sel->setName(gmx::formatString("group \"%s\"", name));
919 sel->u.gref.name = strdup(name);
922 if (_gmx_sel_lexer_has_groups_set(scanner))
924 gmx_ana_indexgrps_t *grps = _gmx_sel_lexer_indexgrps(scanner);
925 sel->resolveIndexGroupReference(grps);
932 * \param[in] id Zero-based index number of the group to extract.
933 * \param[in] scanner Scanner data structure.
934 * \returns The created selection element.
936 SelectionTreeElementPointer
937 _gmx_sel_init_group_by_id(int id, yyscan_t scanner)
939 SelectionTreeElementPointer sel(new SelectionTreeElement(SEL_GROUPREF));
940 _gmx_selelem_set_vtype(sel, GROUP_VALUE);
941 sel->setName(gmx::formatString("group %d", id));
942 sel->u.gref.name = NULL;
945 if (_gmx_sel_lexer_has_groups_set(scanner))
947 gmx_ana_indexgrps_t *grps = _gmx_sel_lexer_indexgrps(scanner);
948 sel->resolveIndexGroupReference(grps);
955 * \param[in,out] sel Value of the variable.
956 * \returns The created selection element that references \p sel.
958 * The reference count of \p sel is updated, but no other modifications are
961 SelectionTreeElementPointer
962 _gmx_sel_init_variable_ref(const gmx::SelectionTreeElementPointer &sel)
964 SelectionTreeElementPointer ref;
966 if (sel->v.type == POS_VALUE && sel->type == SEL_CONST)
972 ref.reset(new SelectionTreeElement(SEL_SUBEXPRREF));
973 _gmx_selelem_set_vtype(ref, sel->v.type);
974 ref->setName(sel->name());
981 * \param[in] name Name for the selection
982 * (if NULL, a default name is constructed).
983 * \param[in] sel The selection element that evaluates the selection.
984 * \param scanner Scanner data structure.
985 * \returns The created root selection element.
987 * This function handles the creation of root (\ref SEL_ROOT)
988 * gmx::SelectionTreeElement objects for selections.
990 SelectionTreeElementPointer
991 _gmx_sel_init_selection(const char *name,
992 const gmx::SelectionTreeElementPointer &sel,
995 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
997 sprintf(buf, "In selection '%s'", _gmx_sel_lexer_pselstr(scanner));
998 gmx::MessageStringContext context(errors, buf);
1000 if (sel->v.type != POS_VALUE)
1002 /* FIXME: Better handling of this error */
1003 GMX_THROW(gmx::InternalError(
1004 "Each selection must evaluate to a position"));
1007 SelectionTreeElementPointer root(new SelectionTreeElement(SEL_ROOT));
1011 root->setName(name);
1013 /* Update the flags */
1014 _gmx_selelem_update_flags(root, scanner);
1016 root->fillNameIfMissing(_gmx_sel_lexer_pselstr(scanner));
1018 /* Print out some information if the parser is interactive */
1019 if (_gmx_sel_is_lexer_interactive(scanner))
1021 fprintf(stderr, "Selection '%s' parsed\n",
1022 _gmx_sel_lexer_pselstr(scanner));
1030 * \param[in] name Name of the variable.
1031 * \param[in] expr The selection element that evaluates the variable.
1032 * \param scanner Scanner data structure.
1033 * \returns The created root selection element.
1035 * This function handles the creation of root gmx::SelectionTreeElement objects
1036 * for variable assignments. A \ref SEL_ROOT element and a \ref SEL_SUBEXPR
1037 * element are both created.
1039 SelectionTreeElementPointer
1040 _gmx_sel_assign_variable(const char *name,
1041 const gmx::SelectionTreeElementPointer &expr,
1044 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
1045 const char *pselstr = _gmx_sel_lexer_pselstr(scanner);
1046 SelectionTreeElementPointer root;
1048 gmx::MessageStringCollector *errors = _gmx_sel_lexer_error_reporter(scanner);
1050 sprintf(buf, "In selection '%s'", pselstr);
1051 gmx::MessageStringContext context(errors, buf);
1053 _gmx_selelem_update_flags(expr, scanner);
1054 /* Check if this is a constant non-group value */
1055 if (expr->type == SEL_CONST && expr->v.type != GROUP_VALUE)
1057 /* If so, just assign the constant value to the variable */
1058 sc->symtab->addVariable(name, expr);
1061 /* Check if we are assigning a variable to another variable */
1062 if (expr->type == SEL_SUBEXPRREF)
1064 /* If so, make a simple alias */
1065 sc->symtab->addVariable(name, expr->child);
1068 /* Create the root element */
1069 root.reset(new SelectionTreeElement(SEL_ROOT));
1070 root->setName(name);
1071 /* Create the subexpression element */
1072 root->child.reset(new SelectionTreeElement(SEL_SUBEXPR));
1073 root->child->setName(name);
1074 _gmx_selelem_set_vtype(root->child, expr->v.type);
1075 root->child->child = expr;
1077 _gmx_selelem_update_flags(root, scanner);
1078 /* Add the variable to the symbol table */
1079 sc->symtab->addVariable(name, root->child);
1081 srenew(sc->varstrs, sc->nvars + 1);
1082 sc->varstrs[sc->nvars] = strdup(pselstr);
1084 if (_gmx_sel_is_lexer_interactive(scanner))
1086 fprintf(stderr, "Variable '%s' parsed\n", pselstr);
1092 * \param sel Selection to append (can be NULL, in which
1093 * case nothing is done).
1094 * \param last Last selection, or NULL if not present or not known.
1095 * \param scanner Scanner data structure.
1096 * \returns The last selection after the append.
1098 * Appends \p sel after the last root element, and returns either \p sel
1099 * (if it was non-NULL) or the last element (if \p sel was NULL).
1101 SelectionTreeElementPointer
1102 _gmx_sel_append_selection(const gmx::SelectionTreeElementPointer &sel,
1103 gmx::SelectionTreeElementPointer last,
1106 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
1108 /* Append sel after last, or the last element of sc if last is NULL */
1129 /* Initialize a selection object if necessary */
1133 /* Add the new selection to the collection if it is not a variable. */
1134 if (sel->child->type != SEL_SUBEXPR)
1136 gmx::SelectionDataPointer selPtr(
1137 new gmx::internal::SelectionData(
1138 sel.get(), _gmx_sel_lexer_pselstr(scanner)));
1139 sc->sel.push_back(gmx::move(selPtr));
1142 /* Clear the selection string now that we've saved it */
1143 _gmx_sel_lexer_clear_pselstr(scanner);
1148 * \param[in] scanner Scanner data structure.
1149 * \returns true if the parser should finish, false if parsing should
1152 * This function is called always after _gmx_sel_append_selection() to
1153 * check whether a sufficient number of selections has already been provided.
1154 * This is used to terminate interactive parsers when the correct number of
1155 * selections has been provided.
1158 _gmx_sel_parser_should_finish(yyscan_t scanner)
1160 gmx_ana_selcollection_t *sc = _gmx_sel_lexer_selcollection(scanner);
1161 return (int)sc->sel.size() == _gmx_sel_lexer_exp_selcount(scanner);