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input_parsing.F
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1!--------------------------------------------------------------------------------------------------!
2! CP2K: A general program to perform molecular dynamics simulations !
3! Copyright 2000-2025 CP2K developers group <https://cp2k.org> !
4! !
5! SPDX-License-Identifier: GPL-2.0-or-later !
6!--------------------------------------------------------------------------------------------------!
7
8! **************************************************************************************************
9!> \brief routines that parse the input
10!> \par History
11!> 06.2004 created
12!> \author fawzi
13! **************************************************************************************************
14MODULE input_parsing
15 USE cp_linked_list_input, ONLY: &
16 cp_create, cp_dealloc, cp_sll_char_type, cp_sll_int_type, cp_sll_logical_type, &
17 cp_sll_real_type, cp_sll_val_create, cp_sll_val_type, cp_to_array
18 USE cp_log_handling, ONLY: cp_logger_get_default_io_unit,&
19 cp_to_string
20 USE cp_parser_methods, ONLY: parser_get_object,&
21 parser_location,&
22 parser_skip_space,&
23 parser_test_next_token
24 USE cp_parser_types, ONLY: cp_parser_type
25 USE cp_units, ONLY: cp_unit_compatible,&
26 cp_unit_create,&
27 cp_unit_desc,&
28 cp_unit_release,&
29 cp_unit_set_type,&
30 cp_unit_to_cp2k1,&
31 cp_unit_type
32 USE input_enumeration_types, ONLY: enum_c2i,&
33 enumeration_type
34 USE input_keyword_types, ONLY: keyword_describe,&
35 keyword_type
36 USE input_section_types, ONLY: &
37 section_describe, section_get_keyword, section_get_keyword_index, &
38 section_get_subsection_index, section_type, section_typo_match, section_vals_add_values, &
39 section_vals_type, typo_match_section, typo_matching_line, typo_matching_rank
40 USE input_val_types, ONLY: &
41 char_t, enum_t, integer_t, lchar_t, logical_t, no_t, real_t, val_create, val_type
42 USE kinds, ONLY: default_string_length,&
43 dp,&
44 max_line_length
45 USE string_utilities, ONLY: uppercase
46#include "../base/base_uses.f90"
47
48 IMPLICIT NONE
49 PRIVATE
50
51 LOGICAL, PRIVATE, PARAMETER :: debug_this_module = .true.
52 CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'input_parsing'
53
54 PUBLIC :: section_vals_parse
55!***
56CONTAINS
57
58! **************************************************************************************************
59!> \brief ...
60!> \param section_vals ...
61!> \param parser ...
62!> \param default_units ...
63!> \param root_section if the root section should be parsed (defaults to true)
64!> \author fawzi
65! **************************************************************************************************
66 RECURSIVE SUBROUTINE section_vals_parse(section_vals, parser, default_units, root_section)
67 TYPE(section_vals_type), POINTER :: section_vals
68 TYPE(cp_parser_type), INTENT(INOUT) :: parser
69 TYPE(cp_unit_set_type), INTENT(IN) :: default_units
70 LOGICAL, INTENT(in), OPTIONAL :: root_section
71
72 CHARACTER(len=*), PARAMETER :: routinen = 'section_vals_parse'
73
74 CHARACTER(len=max_line_length) :: token
75 INTEGER :: desc_level, handle, ik, imatch, irs, is, &
76 nsub, output_unit
77 LOGICAL :: at_end, compatible_end, root_sect, &
78 whole_section
79 TYPE(cp_sll_val_type), POINTER :: last_val, new_val, previous_last, &
80 previous_list
81 TYPE(keyword_type), POINTER :: keyword
82 TYPE(section_type), POINTER :: section
83 TYPE(val_type), POINTER :: el
84
85 CALL timeset(routinen, handle)
86
87 NULLIFY (previous_list, previous_last)
88
89 root_sect = .true.
90 IF (PRESENT(root_section)) root_sect = root_section
91
92 cpassert(ASSOCIATED(section_vals))
93 output_unit = cp_logger_get_default_io_unit()
94
95 cpassert(section_vals%ref_count > 0)
96 IF (root_sect .AND. parser%icol1 > parser%icol2) &
97 CALL cp_abort(__location__, &
98 "Error 1: this routine must be called just after having parsed the start of the section " &
99 //trim(parser_location(parser)))
100 section => section_vals%section
101 IF (root_sect) THEN
102 token = trim(adjustl(parser%input_line(parser%icol1:parser%icol2))) ! Ignore leading or trailing blanks
103 CALL uppercase(token)
104 IF (token /= parser%section_character//section%name) &
105 CALL cp_abort(__location__, &
106 "Error 2: this routine must be called just after having parsed the start of the section " &
107 //trim(parser_location(parser)))
108 END IF
109 IF (.NOT. section%repeats .AND. SIZE(section_vals%values, 2) /= 0) &
110 CALL cp_abort(__location__, "Section "//trim(section%name)// &
111 " should not repeat "//trim(parser_location(parser)))
112 CALL section_vals_add_values(section_vals)
113 irs = SIZE(section_vals%values, 2)
114
115 IF (ALLOCATED(section%deprecation_notice)) THEN
116 CALL cp_warn(__location__, &
117 "The specified section '"//trim(section%name)// &
118 "' is deprecated and may be removed in a future version: "// &
119 section%deprecation_notice)
120 END IF
121
122 IF (ASSOCIATED(section%keywords(-1)%keyword)) THEN ! reads section params
123 keyword => section%keywords(-1)%keyword
124 NULLIFY (el)
125 IF (keyword%type_of_var == lchar_t) CALL parser_skip_space(parser)
126 CALL val_create_parsing(el, type_of_var=keyword%type_of_var, &
127 n_var=keyword%n_var, default_value=keyword%lone_keyword_value, &
128 enum=keyword%enum, unit=keyword%unit, &
129 default_units=default_units, &
130 parser=parser)
131 NULLIFY (new_val)
132 CALL cp_sll_val_create(new_val, el)
133 section_vals%values(-1, irs)%list => new_val
134 NULLIFY (el)
135 END IF
136 DO WHILE (.true.)
137 CALL parser_get_object(parser, token, newline=.true., &
138 lower_to_upper=.true., at_end=at_end)
139 token = trim(adjustl(token)) ! Ignore leading or trailing blanks
140 IF (at_end) THEN
141 IF (root_sect) &
142 CALL cp_abort(__location__, &
143 "unexpected end of file while parsing section "// &
144 trim(section%name)//" "//trim(parser_location(parser)))
145 EXIT
146 END IF
147 IF (token(1:1) == parser%section_character) THEN
148 IF (token == "&END") THEN
149 ! end of section
150 compatible_end = .true.
151 IF (parser_test_next_token(parser) /= "EOL") THEN
152 CALL parser_get_object(parser, token, newline=.false., &
153 lower_to_upper=.true.)
154 IF (token /= "SECTION" .AND. token /= section%name) THEN
155 compatible_end = .false.
156 END IF
157 END IF
158 IF (parser_test_next_token(parser) /= "EOL") THEN
159 CALL parser_get_object(parser, token, newline=.false., &
160 lower_to_upper=.true.)
161 IF (token /= section%name) THEN
162 print *, trim(token), "/=", trim(section%name)
163 compatible_end = .false.
164 END IF
165 END IF
166 IF (.NOT. compatible_end) THEN
167 CALL cp_abort(__location__, &
168 "non-compatible end of section "//trim(section%name)//" "// &
169 trim(parser_location(parser)))
170 END IF
171 ! RETURN
172 EXIT
173 END IF
174 is = section_get_subsection_index(section, token(2:))
175 IF (is > 0) THEN
176 CALL section_vals_parse(section_vals%subs_vals(is, irs)%section_vals, &
177 default_units=default_units, parser=parser)
178 ELSE
179 ! unknown subsection
180 IF (output_unit > 0) THEN
181 WRITE (output_unit, *)
182 WRITE (output_unit, '(T2,A)') "Possible matches for unknown subsection "
183 WRITE (output_unit, *)
184 WRITE (output_unit, '(T2,A)') trim(token(2:))
185 WRITE (output_unit, *)
186 CALL section_typo_match(typo_match_section, trim(section%name), trim(token(2:)), "", &
187 typo_matching_rank, typo_matching_line, bonus=0)
188 DO imatch = 1, SIZE(typo_matching_rank)
189 WRITE (output_unit, '(T2,A,1X,I0)') trim(typo_matching_line(imatch))//" score: ", typo_matching_rank(imatch)
190 END DO
191 END IF
192 CALL cp_abort(__location__, &
193 "unknown subsection "//trim(token(2:))//" of section " &
194 //trim(section%name))
195 nsub = 1
196 DO WHILE (nsub > 0)
197 CALL parser_get_object(parser, token, newline=.true., &
198 lower_to_upper=.true.)
199 IF (token(1:1) == parser%section_character) THEN
200 IF (token == "&END") THEN
201 nsub = nsub - 1
202 ELSE
203 nsub = nsub + 1
204 END IF
205 END IF
206 END DO
207 END IF
208 ELSE ! token is a keyword
209 IF (token == "DESCRIBE") THEN
210 IF (output_unit > 0) WRITE (output_unit, "(/,' ****** DESCRIPTION ******',/)")
211 desc_level = 3
212 IF (parser_test_next_token(parser) == "INT") THEN
213 CALL parser_get_object(parser, desc_level)
214 END IF
215 whole_section = .true.
216 DO WHILE (parser_test_next_token(parser) == "STR")
217 whole_section = .false.
218 CALL parser_get_object(parser, token, newline=.false., &
219 lower_to_upper=.true.)
220 keyword => section_get_keyword(section, token)
221 IF (.NOT. ASSOCIATED(keyword)) THEN
222 CALL cp_warn(__location__, &
223 "unknown keyword to describe "//trim(token)// &
224 " in section "//trim(section%name))
225 ELSE
226 CALL keyword_describe(keyword, output_unit, desc_level)
227 END IF
228 END DO
229 IF (whole_section) THEN
230 CALL section_describe(section, output_unit, desc_level, hide_root=.NOT. root_sect)
231 END IF
232 IF (output_unit > 0) WRITE (output_unit, "(/,' ****** =========== ******',/)")
233
234 ELSE ! token is a "normal" keyword
235 ik = section_get_keyword_index(section, token)
236 IF (ik < 1) THEN ! don't accept pseudo keyword names
237 parser%icol = parser%icol1 - 1 ! re-read also the actual token
238 ik = 0
239 IF (.NOT. ASSOCIATED(section%keywords(0)%keyword)) THEN
240 IF (output_unit > 0) THEN
241 WRITE (output_unit, *)
242 WRITE (output_unit, '(T2,A)') "Possible matches for unknown keyword "
243 WRITE (output_unit, *)
244 WRITE (output_unit, '(T2,A)') trim(token)
245 WRITE (output_unit, *)
246 CALL section_typo_match(typo_match_section, trim(section%name), trim(token), "", &
247 typo_matching_rank, typo_matching_line, bonus=0)
248 DO imatch = 1, SIZE(typo_matching_rank)
249 WRITE (output_unit, '(T2,A,1X,I0)') &
250 trim(typo_matching_line(imatch))//" score: ", typo_matching_rank(imatch)
251 END DO
252 END IF
253 CALL cp_abort(__location__, &
254 "found an unknown keyword "//trim(token)// &
255 " in section "//trim(section%name))
256 END IF
257 END IF
258 keyword => section%keywords(ik)%keyword
259 IF (ASSOCIATED(keyword)) THEN
260 IF (keyword%removed) THEN
261 IF (ALLOCATED(keyword%deprecation_notice)) THEN
262 CALL cp_abort(__location__, &
263 "The specified keyword '"//trim(token)//"' is not available anymore: "// &
264 keyword%deprecation_notice)
265 ELSE
266 CALL cp_abort(__location__, &
267 "The specified keyword '"//trim(token)// &
268 "' is not available anymore, please consult the manual.")
269 END IF
270 END IF
271
272 IF (ALLOCATED(keyword%deprecation_notice)) &
273 CALL cp_warn(__location__, &
274 "The specified keyword '"//trim(token)// &
275 "' is deprecated and may be removed in a future version: "// &
276 keyword%deprecation_notice//".")
277
278 NULLIFY (el)
279 IF (ik /= 0 .AND. keyword%type_of_var == lchar_t) &
280 CALL parser_skip_space(parser)
281 CALL val_create_parsing(el, type_of_var=keyword%type_of_var, &
282 n_var=keyword%n_var, default_value=keyword%lone_keyword_value, &
283 enum=keyword%enum, unit=keyword%unit, &
284 default_units=default_units, parser=parser)
285 IF (ASSOCIATED(el)) THEN
286 NULLIFY (new_val)
287 CALL cp_sll_val_create(new_val, el)
288 last_val => section_vals%values(ik, irs)%list
289 IF (.NOT. ASSOCIATED(last_val)) THEN
290 section_vals%values(ik, irs)%list => new_val
291 ELSE
292 IF (.NOT. keyword%repeats) &
293 CALL cp_abort(__location__, &
294 "Keyword "//trim(token)// &
295 " in section "//trim(section%name)//" should not repeat.")
296 IF (ASSOCIATED(last_val, previous_list)) THEN
297 last_val => previous_last
298 ELSE
299 previous_list => last_val
300 END IF
301 DO WHILE (ASSOCIATED(last_val%rest))
302 last_val => last_val%rest
303 END DO
304 last_val%rest => new_val
305 previous_last => new_val
306 END IF
307 END IF
308 END IF
309 END IF
310 END IF
311 END DO
312 CALL timestop(handle)
313 END SUBROUTINE section_vals_parse
314
315! **************************************************************************************************
316!> \brief creates a val_type object by parsing the values
317!> \param val the value that will be created
318!> \param type_of_var type of the value to be created
319!> \param n_var number of values to be parsed (-1: undefined)
320!> \param enum ...
321!> \param parser the parser from where the values should be read
322!> \param unit ...
323!> \param default_units ...
324!> \param default_value a default value if nothing is found (can be null)
325!> \author fawzi
326!> \note
327!> - no_t does not create a value
328! **************************************************************************************************
329 SUBROUTINE val_create_parsing(val, type_of_var, n_var, enum, &
330 parser, unit, default_units, default_value)
331 TYPE(val_type), POINTER :: val
332 INTEGER, INTENT(in) :: type_of_var, n_var
333 TYPE(enumeration_type), POINTER :: enum
334 TYPE(cp_parser_type), INTENT(INOUT) :: parser
335 TYPE(cp_unit_type), POINTER :: unit
336 TYPE(cp_unit_set_type), INTENT(IN) :: default_units
337 TYPE(val_type), OPTIONAL, POINTER :: default_value
338
339 CHARACTER(len=*), PARAMETER :: routinen = 'val_create_parsing'
340
341 CHARACTER(len=default_string_length) :: c_val, info, location
342 CHARACTER(len=default_string_length), &
343 DIMENSION(:), POINTER :: c_val_p
344 INTEGER :: handle, i, i_val
345 INTEGER, DIMENSION(:), POINTER :: i_val_p
346 LOGICAL :: check, eol, l_val, quoted
347 LOGICAL, DIMENSION(:), POINTER :: l_val_p
348 REAL(kind=dp) :: r_val
349 REAL(kind=dp), DIMENSION(:), POINTER :: r_val_p
350 TYPE(cp_sll_char_type), POINTER :: c_first, c_last, c_new
351 TYPE(cp_sll_int_type), POINTER :: i_first, i_last, i_new
352 TYPE(cp_sll_logical_type), POINTER :: l_first, l_last, l_new
353 TYPE(cp_sll_real_type), POINTER :: r_first, r_last, r_new
354
355 CALL timeset(routinen, handle)
356
357 cpassert(.NOT. ASSOCIATED(val))
358 SELECT CASE (type_of_var)
359 CASE (no_t)
360 CASE (logical_t)
361 NULLIFY (l_val_p)
362 IF (parser_test_next_token(parser) == "EOL") THEN
363 IF (.NOT. ASSOCIATED(default_value)) THEN
364 IF (n_var < 1) THEN
365 ALLOCATE (l_val_p(0))
366 CALL val_create(val, l_vals_ptr=l_val_p)
367 ELSE
368 CALL cp_abort(__location__, &
369 "no value was given and there is no default value"// &
370 trim(parser_location(parser)))
371 END IF
372 ELSE
373 cpassert(ASSOCIATED(default_value%l_val))
374 CALL val_create(val, l_vals=default_value%l_val)
375 END IF
376 ELSE
377 IF (n_var < 1) THEN
378 NULLIFY (l_last, l_first)
379 CALL parser_get_object(parser, l_val)
380 CALL cp_create(l_first, l_val)
381 l_last => l_first
382 DO WHILE (parser_test_next_token(parser) /= "EOL")
383 CALL parser_get_object(parser, l_val)
384 CALL cp_create(l_new, l_val)
385 l_last%rest => l_new
386 l_last => l_new
387 END DO
388 l_val_p => cp_to_array(l_first)
389 CALL cp_dealloc(l_first)
390 ELSE
391 ALLOCATE (l_val_p(n_var))
392 DO i = 1, n_var
393 CALL parser_get_object(parser, l_val_p(i))
394 END DO
395 END IF
396 IF (ASSOCIATED(l_val_p)) THEN
397 CALL val_create(val, l_vals_ptr=l_val_p)
398 END IF
399 END IF
400 CASE (integer_t)
401 NULLIFY (i_val_p)
402 IF (parser_test_next_token(parser) == "EOL") THEN
403 IF (.NOT. ASSOCIATED(default_value)) THEN
404 IF (n_var < 1) THEN
405 ALLOCATE (i_val_p(0))
406 CALL val_create(val, i_vals_ptr=i_val_p)
407 ELSE
408 CALL cp_abort(__location__, &
409 "no value was given and there is no default value"// &
410 trim(parser_location(parser)))
411 END IF
412 ELSE
413 check = ASSOCIATED(default_value%i_val)
414 cpassert(check)
415 CALL val_create(val, i_vals=default_value%i_val)
416 END IF
417 ELSE
418 IF (n_var < 1) THEN
419 NULLIFY (i_last, i_first)
420 CALL parser_get_object(parser, i_val)
421 CALL cp_create(i_first, i_val)
422 i_last => i_first
423 DO WHILE (parser_test_next_token(parser) /= "EOL")
424 CALL parser_get_object(parser, i_val)
425 CALL cp_create(i_new, i_val)
426 i_last%rest => i_new
427 i_last => i_new
428 END DO
429 i_val_p => cp_to_array(i_first)
430 CALL cp_dealloc(i_first)
431 ELSE
432 ALLOCATE (i_val_p(n_var))
433 DO i = 1, n_var
434 CALL parser_get_object(parser, i_val_p(i))
435 END DO
436 END IF
437 IF (ASSOCIATED(i_val_p)) THEN
438 CALL val_create(val, i_vals_ptr=i_val_p)
439 END IF
440 END IF
441 CASE (real_t)
442 NULLIFY (r_val_p)
443 IF (parser_test_next_token(parser) == "EOL") THEN
444 IF (.NOT. ASSOCIATED(default_value)) THEN
445 IF (n_var < 1) THEN
446 ALLOCATE (r_val_p(0))
447 CALL val_create(val, r_vals_ptr=r_val_p)
448 ELSE
449 CALL cp_abort(__location__, &
450 "no value was given and there is no default value"// &
451 trim(parser_location(parser)))
452 END IF
453 ELSE
454 cpassert(ASSOCIATED(default_value%r_val))
455 CALL val_create(val, r_vals=default_value%r_val)
456 END IF
457 ELSE
458 IF (n_var < 1) THEN
459 NULLIFY (r_last, r_first)
460 c_val = ""
461 CALL get_r_val(r_val, parser, unit, default_units, c_val)
462 CALL cp_create(r_first, r_val)
463 r_last => r_first
464 DO WHILE (parser_test_next_token(parser) /= "EOL")
465 CALL get_r_val(r_val, parser, unit, default_units, c_val)
466 CALL cp_create(r_new, r_val)
467 r_last%rest => r_new
468 r_last => r_new
469 END DO
470 NULLIFY (r_last)
471 r_val_p => cp_to_array(r_first)
472 CALL cp_dealloc(r_first)
473 ELSE
474 ALLOCATE (r_val_p(n_var))
475 c_val = ""
476 DO i = 1, n_var
477 CALL get_r_val(r_val_p(i), parser, unit, default_units, c_val)
478 END DO
479 END IF
480 IF (ASSOCIATED(r_val_p)) THEN
481 CALL val_create(val, r_vals_ptr=r_val_p)
482 END IF
483 END IF
484 CASE (char_t)
485 NULLIFY (c_val_p)
486 IF (parser_test_next_token(parser) == "EOL") THEN
487 IF (n_var < 1) THEN
488 ALLOCATE (c_val_p(1))
489 c_val_p(1) = ' '
490 CALL val_create(val, c_vals_ptr=c_val_p)
491 ELSE
492 IF (.NOT. ASSOCIATED(default_value)) THEN
493 CALL cp_abort(__location__, &
494 "no value was given and there is no default value"// &
495 trim(parser_location(parser)))
496 ELSE
497 cpassert(ASSOCIATED(default_value%c_val))
498 CALL val_create(val, c_vals=default_value%c_val)
499 END IF
500 END IF
501 ELSE
502 IF (n_var < 1) THEN
503 cpassert(n_var == -1)
504 NULLIFY (c_last, c_first)
505 CALL parser_get_object(parser, c_val)
506 CALL cp_create(c_first, c_val)
507 c_last => c_first
508 DO WHILE (parser_test_next_token(parser) /= "EOL")
509 CALL parser_get_object(parser, c_val)
510 CALL cp_create(c_new, c_val)
511 c_last%rest => c_new
512 c_last => c_new
513 END DO
514 c_val_p => cp_to_array(c_first)
515 CALL cp_dealloc(c_first)
516 ELSE
517 ALLOCATE (c_val_p(n_var))
518 DO i = 1, n_var
519 CALL parser_get_object(parser, c_val_p(i))
520 END DO
521 END IF
522 IF (ASSOCIATED(c_val_p)) THEN
523 CALL val_create(val, c_vals_ptr=c_val_p)
524 END IF
525 END IF
526 CASE (lchar_t)
527 IF (ASSOCIATED(default_value)) &
528 CALL cp_abort(__location__, &
529 "input variables of type lchar_t cannot have a lone keyword attribute,"// &
530 " no value is interpreted as empty string"// &
531 trim(parser_location(parser)))
532 IF (n_var /= 1) &
533 CALL cp_abort(__location__, &
534 "input variables of type lchar_t cannot be repeated,"// &
535 " one always represent a whole line, till the end"// &
536 trim(parser_location(parser)))
537 IF (parser_test_next_token(parser) == "EOL") THEN
538 ALLOCATE (c_val_p(1))
539 c_val_p(1) = ' '
540 ELSE
541 NULLIFY (c_last, c_first)
542 CALL parser_get_object(parser, c_val, string_length=len(c_val))
543 IF (c_val(1:1) == parser%quote_character) THEN
544 quoted = .true.
545 c_val(1:) = c_val(2:) ! Drop first quotation mark
546 i = index(c_val, parser%quote_character) ! Check for second quotation mark
547 IF (i > 0) THEN
548 c_val(i:) = "" ! Discard stuff after second quotation mark
549 eol = .true. ! Enforce end of line
550 ELSE
551 eol = .false.
552 END IF
553 ELSE
554 quoted = .false.
555 eol = .false.
556 END IF
557 CALL cp_create(c_first, c_val)
558 c_last => c_first
559 DO WHILE ((.NOT. eol) .AND. (parser_test_next_token(parser) /= "EOL"))
560 CALL parser_get_object(parser, c_val, string_length=len(c_val))
561 i = index(c_val, parser%quote_character) ! Check for quotation mark
562 IF (i > 0) THEN
563 IF (quoted) THEN
564 c_val(i:) = "" ! Discard stuff after second quotation mark
565 eol = .true. ! Enforce end of line
566 ELSE
567 CALL cp_abort(__location__, &
568 "Quotation mark found which is not the first non-blank character. "// &
569 "Possibly the first quotation mark is missing?"// &
570 trim(parser_location(parser)))
571 END IF
572 ELSE
573 eol = .false.
574 END IF
575 CALL cp_create(c_new, c_val)
576 c_last%rest => c_new
577 c_last => c_new
578 END DO
579 c_val_p => cp_to_array(c_first)
580 CALL cp_dealloc(c_first)
581 END IF
582 cpassert(ASSOCIATED(c_val_p))
583 CALL val_create(val, lc_vals_ptr=c_val_p)
584 CASE (enum_t)
585 cpassert(ASSOCIATED(enum))
586 NULLIFY (i_val_p)
587 IF (parser_test_next_token(parser) == "EOL") THEN
588 IF (.NOT. ASSOCIATED(default_value)) THEN
589 IF (n_var < 1) THEN
590 ALLOCATE (i_val_p(0))
591 CALL val_create(val, i_vals_ptr=i_val_p)
592 ELSE
593 CALL cp_abort(__location__, &
594 "no value was given and there is no default value"// &
595 trim(parser_location(parser)))
596 END IF
597 ELSE
598 cpassert(ASSOCIATED(default_value%i_val))
599 CALL val_create(val, i_vals=default_value%i_val, &
600 enum=default_value%enum)
601 END IF
602 ELSE
603 IF (n_var < 1) THEN
604 NULLIFY (i_last, i_first)
605 CALL parser_get_object(parser, c_val)
606 CALL cp_create(i_first, enum_c2i(enum, c_val))
607 i_last => i_first
608 DO WHILE (parser_test_next_token(parser) /= "EOL")
609 CALL parser_get_object(parser, c_val)
610 CALL cp_create(i_new, enum_c2i(enum, c_val))
611 i_last%rest => i_new
612 i_last => i_new
613 END DO
614 i_val_p => cp_to_array(i_first)
615 CALL cp_dealloc(i_first)
616 ELSE
617 ALLOCATE (i_val_p(n_var))
618 DO i = 1, n_var
619 CALL parser_get_object(parser, c_val)
620 i_val_p(i) = enum_c2i(enum, c_val)
621 END DO
622 END IF
623 IF (ASSOCIATED(i_val_p)) THEN
624 CALL val_create(val, i_vals_ptr=i_val_p, enum=enum)
625 END IF
626 END IF
627 CASE default
628 CALL cp_abort(__location__, &
629 "type "//cp_to_string(type_of_var)//"unknown to the parser")
630 END SELECT
631 IF (parser_test_next_token(parser) .NE. "EOL") THEN
632 location = trim(parser_location(parser))
633 CALL parser_get_object(parser, info)
634 CALL cp_abort(__location__, &
635 "found unexpected extra argument "//trim(info)//" at "//location)
636 END IF
637
638 CALL timestop(handle)
639
640 END SUBROUTINE val_create_parsing
641
642! **************************************************************************************************
643!> \brief Reads and convert a real number from the input file
644!> \param r_val ...
645!> \param parser the parser from where the values should be read
646!> \param unit ...
647!> \param default_units ...
648!> \param c_val ...
649!> \author Teodoro Laino - 11.2007 [tlaino] - University of Zurich
650! **************************************************************************************************
651 SUBROUTINE get_r_val(r_val, parser, unit, default_units, c_val)
652 REAL(kind=dp), INTENT(OUT) :: r_val
653 TYPE(cp_parser_type), INTENT(INOUT) :: parser
654 TYPE(cp_unit_type), POINTER :: unit
655 TYPE(cp_unit_set_type), INTENT(IN) :: default_units
656 CHARACTER(len=default_string_length), &
657 INTENT(INOUT) :: c_val
658
659 TYPE(cp_unit_type), POINTER :: my_unit
660
661 NULLIFY (my_unit)
662 IF (ASSOCIATED(unit)) THEN
663 IF ('STR' == parser_test_next_token(parser)) THEN
664 CALL parser_get_object(parser, c_val)
665 IF (c_val(1:1) /= "[" .OR. c_val(len_trim(c_val):len_trim(c_val)) /= "]") THEN
666 CALL cp_abort(__location__, &
667 "Invalid unit specifier or function found when parsing a number: "// &
668 c_val)
669 END IF
670 ALLOCATE (my_unit)
671 CALL cp_unit_create(my_unit, c_val(2:len_trim(c_val) - 1))
672 ELSE
673 IF (c_val /= "") THEN
674 ALLOCATE (my_unit)
675 CALL cp_unit_create(my_unit, c_val(2:len_trim(c_val) - 1))
676 ELSE
677 my_unit => unit
678 END IF
679 END IF
680 IF (.NOT. cp_unit_compatible(unit, my_unit)) &
681 CALL cp_abort(__location__, &
682 "Incompatible units. Defined as ("// &
683 trim(cp_unit_desc(unit))//") specified in input as ("// &
684 trim(cp_unit_desc(my_unit))//"). These units are incompatible!")
685 END IF
686 CALL parser_get_object(parser, r_val)
687 IF (ASSOCIATED(unit)) THEN
688 r_val = cp_unit_to_cp2k1(r_val, my_unit, default_units)
689 IF (.NOT. (ASSOCIATED(my_unit, unit))) THEN
690 CALL cp_unit_release(my_unit)
691 DEALLOCATE (my_unit)
692 END IF
693 END IF
694
695 END SUBROUTINE get_r_val
696
697END MODULE input_parsing
cp_linked_list_input::cp_create
Definition cp_linked_list_input.F:99
cp_linked_list_input::cp_dealloc
Definition cp_linked_list_input.F:107
cp_linked_list_input::cp_to_array
Definition cp_linked_list_input.F:207
cp_log_handling::cp_to_string
Definition cp_log_handling.F:90
cp_parser_methods::parser_get_object
Definition cp_parser_methods.F:54
cp_linked_list_input
Definition cp_linked_list_input.F:9
cp_linked_list_input::cp_sll_val_create
subroutine, public cp_sll_val_create(sll, first_el, rest)
allocates and initializes a single linked list
Definition cp_linked_list_input.F:508
cp_log_handling
various routines to log and control the output. The idea is that decisions about where to log should ...
Definition cp_log_handling.F:41
cp_log_handling::cp_logger_get_default_io_unit
integer function, public cp_logger_get_default_io_unit(logger)
returns the unit nr for the ionode (-1 on all other processors) skips as well checks if the procs cal...
Definition cp_log_handling.F:515
cp_parser_methods
Utility routines to read data from files. Kept as close as possible to the old parser because.
Definition cp_parser_methods.F:20
cp_parser_methods::parser_skip_space
subroutine, public parser_skip_space(parser)
Skips the whitespaces.
Definition cp_parser_methods.F:451
cp_parser_methods::parser_test_next_token
character(len=3) function, public parser_test_next_token(parser, string_length)
Test next input object.
Definition cp_parser_methods.F:691
cp_parser_methods::parser_location
character(len=default_path_length+default_string_length) function, public parser_location(parser)
return a description of the part of the file actually parsed
Definition cp_parser_methods.F:70
cp_parser_types
Utility routines to read data from files. Kept as close as possible to the old parser because.
Definition cp_parser_types.F:21
cp_units
unit conversion facility
Definition cp_units.F:30
cp_units::cp_unit_desc
character(len=cp_unit_desc_length) function, public cp_unit_desc(unit, defaults, accept_undefined)
returns the "name" of the given unit
Definition cp_units.F:1036
cp_units::cp_unit_to_cp2k1
real(kind=dp) function, public cp_unit_to_cp2k1(value, unit, defaults, power)
transform a value to the internal cp2k units
Definition cp_units.F:1085
cp_units::cp_unit_create
subroutine, public cp_unit_create(unit, string)
creates a unit parsing a string
Definition cp_units.F:163
cp_units::cp_unit_compatible
logical function, public cp_unit_compatible(ref_unit, unit)
returs true if the two units are compatible
Definition cp_units.F:1205
cp_units::cp_unit_release
elemental subroutine, public cp_unit_release(unit)
releases the given unit
Definition cp_units.F:545
input_enumeration_types
represents an enumeration, i.e. a mapping between integers and strings
Definition input_enumeration_types.F:14
input_enumeration_types::enum_c2i
integer function, public enum_c2i(enum, c)
maps a string to an integer
Definition input_enumeration_types.F:192
input_keyword_types
represents keywords in an input
Definition input_keyword_types.F:14
input_keyword_types::keyword_describe
subroutine, public keyword_describe(keyword, unit_nr, level)
writes out a description of the keyword
Definition input_keyword_types.F:514
input_parsing
routines that parse the input
Definition input_parsing.F:14
input_parsing::section_vals_parse
recursive subroutine, public section_vals_parse(section_vals, parser, default_units, root_section)
...
Definition input_parsing.F:67
input_section_types
objects that represent the structure of input sections and the data contained in an input section
Definition input_section_types.F:15
input_section_types::section_typo_match
recursive subroutine, public section_typo_match(section, section_name, unknown_string, location_string, matching_rank, matching_string, bonus)
...
Definition input_section_types.F:1626
input_section_types::typo_match_section
type(section_type), pointer, save, public typo_match_section
Definition input_section_types.F:135
input_section_types::section_get_keyword_index
integer function, public section_get_keyword_index(section, keyword_name)
returns the index of the requested keyword (or -2 if not found)
Definition input_section_types.F:436
input_section_types::typo_matching_rank
integer, dimension(n_typo_matches), public typo_matching_rank
Definition input_section_types.F:137
input_section_types::section_get_keyword
recursive type(keyword_type) function, pointer, public section_get_keyword(section, keyword_name)
returns the requested keyword
Definition input_section_types.F:478
input_section_types::section_describe
recursive subroutine, public section_describe(section, unit_nr, level, hide_root, recurse)
prints a description of the given section
Definition input_section_types.F:311
input_section_types::section_get_subsection_index
integer function, public section_get_subsection_index(section, subsection_name)
returns the index of requested subsection (-1 if not found)
Definition input_section_types.F:380
input_section_types::typo_matching_line
character(len=default_string_length *5), dimension(n_typo_matches), public typo_matching_line
Definition input_section_types.F:138
input_section_types::section_vals_add_values
subroutine, public section_vals_add_values(section_vals)
adds the place to store the values of a repetition of the section
Definition input_section_types.F:848
input_val_types
a wrapper for basic fortran types.
Definition input_val_types.F:14
input_val_types::real_t
integer, parameter, public real_t
Definition input_val_types.F:41
input_val_types::lchar_t
integer, parameter, public lchar_t
Definition input_val_types.F:41
input_val_types::logical_t
integer, parameter, public logical_t
Definition input_val_types.F:41
input_val_types::val_create
subroutine, public val_create(val, l_val, l_vals, l_vals_ptr, i_val, i_vals, i_vals_ptr, r_val, r_vals, r_vals_ptr, c_val, c_vals, c_vals_ptr, lc_val, lc_vals, lc_vals_ptr, enum)
creates a keyword value
Definition input_val_types.F:103
input_val_types::char_t
integer, parameter, public char_t
Definition input_val_types.F:41
input_val_types::integer_t
integer, parameter, public integer_t
Definition input_val_types.F:41
input_val_types::no_t
integer, parameter, public no_t
Definition input_val_types.F:41
input_val_types::enum_t
integer, parameter, public enum_t
Definition input_val_types.F:41
kinds
Defines the basic variable types.
Definition kinds.F:23
kinds::max_line_length
integer, parameter, public max_line_length
Definition kinds.F:59
kinds::dp
integer, parameter, public dp
Definition kinds.F:34
kinds::default_string_length
integer, parameter, public default_string_length
Definition kinds.F:57
string_utilities
Utilities for string manipulations.
Definition string_utilities.F:16
string_utilities::newline
character(len=1), parameter, public newline
Definition string_utilities.F:29
string_utilities::uppercase
elemental subroutine, public uppercase(string)
Convert all lower case characters in a string to upper case.
Definition string_utilities.F:3362
cp_linked_list_input::cp_sll_char_type
represent a single linked list that stores pointers to the elements
Definition cp_linked_list_input.F:315
cp_linked_list_input::cp_sll_int_type
represent a single linked list that stores pointers to the elements
Definition cp_linked_list_input.F:237
cp_linked_list_input::cp_sll_logical_type
represent a single linked list that stores pointers to the elements
Definition cp_linked_list_input.F:289
cp_linked_list_input::cp_sll_real_type
represent a single linked list that stores pointers to the elements
Definition cp_linked_list_input.F:263
cp_linked_list_input::cp_sll_val_type
represent a single linked list that stores pointers to the elements
Definition cp_linked_list_input.F:341
cp_parser_types::cp_parser_type
represent a parser
Definition cp_parser_types.F:77
cp_units::cp_unit_set_type
stores the default units to be used
Definition cp_units.F:150
cp_units::cp_unit_type
stores a unit
Definition cp_units.F:132
input_enumeration_types::enumeration_type
Definition input_enumeration_types.F:43
input_keyword_types::keyword_type
represent a keyword in the input
Definition input_keyword_types.F:88
input_section_types::section_type
represent a section of the input file
Definition input_section_types.F:102
input_section_types::section_vals_type
stores the values of a section
Definition input_section_types.F:127
input_val_types::val_type
a type to have a wrapper that stores any basic fortran type
Definition input_val_types.F:63