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input_parsing.F
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1!--------------------------------------------------------------------------------------------------!
2! CP2K: A general program to perform molecular dynamics simulations !
3! Copyright 2000-2024 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 (ASSOCIATED(section%keywords(-1)%keyword)) THEN ! reads section params
116 keyword => section%keywords(-1)%keyword
117 NULLIFY (el)
118 IF (keyword%type_of_var == lchar_t) CALL parser_skip_space(parser)
119 CALL val_create_parsing(el, type_of_var=keyword%type_of_var, &
120 n_var=keyword%n_var, default_value=keyword%lone_keyword_value, &
121 enum=keyword%enum, unit=keyword%unit, &
122 default_units=default_units, &
123 parser=parser)
124 NULLIFY (new_val)
125 CALL cp_sll_val_create(new_val, el)
126 section_vals%values(-1, irs)%list => new_val
127 NULLIFY (el)
128 END IF
129 DO WHILE (.true.)
130 CALL parser_get_object(parser, token, newline=.true., &
131 lower_to_upper=.true., at_end=at_end)
132 token = trim(adjustl(token)) ! Ignore leading or trailing blanks
133 IF (at_end) THEN
134 IF (root_sect) &
135 CALL cp_abort(__location__, &
136 "unexpected end of file while parsing section "// &
137 trim(section%name)//" "//trim(parser_location(parser)))
138 EXIT
139 END IF
140 IF (token(1:1) == parser%section_character) THEN
141 IF (token == "&END") THEN
142 ! end of section
143 compatible_end = .true.
144 IF (parser_test_next_token(parser) /= "EOL") THEN
145 CALL parser_get_object(parser, token, newline=.false., &
146 lower_to_upper=.true.)
147 IF (token /= "SECTION" .AND. token /= section%name) THEN
148 compatible_end = .false.
149 END IF
150 END IF
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%name) THEN
155 print *, trim(token), "/=", trim(section%name)
156 compatible_end = .false.
157 END IF
158 END IF
159 IF (.NOT. compatible_end) THEN
160 CALL cp_abort(__location__, &
161 "non-compatible end of section "//trim(section%name)//" "// &
162 trim(parser_location(parser)))
163 END IF
164 ! RETURN
165 EXIT
166 END IF
167 is = section_get_subsection_index(section, token(2:))
168 IF (is > 0) THEN
169 CALL section_vals_parse(section_vals%subs_vals(is, irs)%section_vals, &
170 default_units=default_units, parser=parser)
171 ELSE
172 ! unknown subsection
173 IF (output_unit > 0) THEN
174 WRITE (output_unit, *)
175 WRITE (output_unit, '(T2,A)') "Possible matches for unknown subsection "
176 WRITE (output_unit, *)
177 WRITE (output_unit, '(T2,A)') trim(token(2:))
178 WRITE (output_unit, *)
179 CALL section_typo_match(typo_match_section, trim(section%name), trim(token(2:)), "", &
180 typo_matching_rank, typo_matching_line, bonus=0)
181 DO imatch = 1, SIZE(typo_matching_rank)
182 WRITE (output_unit, '(T2,A,1X,I0)') trim(typo_matching_line(imatch))//" score: ", typo_matching_rank(imatch)
183 END DO
184 END IF
185 CALL cp_abort(__location__, &
186 "unknown subsection "//trim(token(2:))//" of section " &
187 //trim(section%name))
188 nsub = 1
189 DO WHILE (nsub > 0)
190 CALL parser_get_object(parser, token, newline=.true., &
191 lower_to_upper=.true.)
192 IF (token(1:1) == parser%section_character) THEN
193 IF (token == "&END") THEN
194 nsub = nsub - 1
195 ELSE
196 nsub = nsub + 1
197 END IF
198 END IF
199 END DO
200 END IF
201 ELSE ! token is a keyword
202 IF (token == "DESCRIBE") THEN
203 IF (output_unit > 0) WRITE (output_unit, "(/,' ****** DESCRIPTION ******',/)")
204 desc_level = 3
205 IF (parser_test_next_token(parser) == "INT") THEN
206 CALL parser_get_object(parser, desc_level)
207 END IF
208 whole_section = .true.
209 DO WHILE (parser_test_next_token(parser) == "STR")
210 whole_section = .false.
211 CALL parser_get_object(parser, token, newline=.false., &
212 lower_to_upper=.true.)
213 keyword => section_get_keyword(section, token)
214 IF (.NOT. ASSOCIATED(keyword)) THEN
215 CALL cp_warn(__location__, &
216 "unknown keyword to describe "//trim(token)// &
217 " in section "//trim(section%name))
218 ELSE
219 CALL keyword_describe(keyword, output_unit, desc_level)
220 END IF
221 END DO
222 IF (whole_section) THEN
223 CALL section_describe(section, output_unit, desc_level, hide_root=.NOT. root_sect)
224 END IF
225 IF (output_unit > 0) WRITE (output_unit, "(/,' ****** =========== ******',/)")
226
227 ELSE ! token is a "normal" keyword
228 ik = section_get_keyword_index(section, token)
229 IF (ik < 1) THEN ! don't accept pseudo keyword names
230 parser%icol = parser%icol1 - 1 ! re-read also the actual token
231 ik = 0
232 IF (.NOT. ASSOCIATED(section%keywords(0)%keyword)) THEN
233 IF (output_unit > 0) THEN
234 WRITE (output_unit, *)
235 WRITE (output_unit, '(T2,A)') "Possible matches for unknown keyword "
236 WRITE (output_unit, *)
237 WRITE (output_unit, '(T2,A)') trim(token)
238 WRITE (output_unit, *)
239 CALL section_typo_match(typo_match_section, trim(section%name), trim(token), "", &
240 typo_matching_rank, typo_matching_line, bonus=0)
241 DO imatch = 1, SIZE(typo_matching_rank)
242 WRITE (output_unit, '(T2,A,1X,I0)') &
243 trim(typo_matching_line(imatch))//" score: ", typo_matching_rank(imatch)
244 END DO
245 END IF
246 CALL cp_abort(__location__, &
247 "found an unknown keyword "//trim(token)// &
248 " in section "//trim(section%name))
249 END IF
250 END IF
251 keyword => section%keywords(ik)%keyword
252 IF (ASSOCIATED(keyword)) THEN
253 IF (keyword%removed) THEN
254 IF (ALLOCATED(keyword%deprecation_notice)) THEN
255 CALL cp_abort(__location__, &
256 "The specified keyword '"//trim(token)//"' is not available anymore: "// &
257 keyword%deprecation_notice)
258 ELSE
259 CALL cp_abort(__location__, &
260 "The specified keyword '"//trim(token)// &
261 "' is not available anymore, please consult the manual.")
262 END IF
263 END IF
264
265 IF (ALLOCATED(keyword%deprecation_notice)) &
266 CALL cp_warn(__location__, &
267 "The specified keyword '"//trim(token)// &
268 "' is deprecated and may be removed in a future version: "// &
269 keyword%deprecation_notice//".")
270
271 NULLIFY (el)
272 IF (ik /= 0 .AND. keyword%type_of_var == lchar_t) &
273 CALL parser_skip_space(parser)
274 CALL val_create_parsing(el, type_of_var=keyword%type_of_var, &
275 n_var=keyword%n_var, default_value=keyword%lone_keyword_value, &
276 enum=keyword%enum, unit=keyword%unit, &
277 default_units=default_units, parser=parser)
278 IF (ASSOCIATED(el)) THEN
279 NULLIFY (new_val)
280 CALL cp_sll_val_create(new_val, el)
281 last_val => section_vals%values(ik, irs)%list
282 IF (.NOT. ASSOCIATED(last_val)) THEN
283 section_vals%values(ik, irs)%list => new_val
284 ELSE
285 IF (.NOT. keyword%repeats) &
286 CALL cp_abort(__location__, &
287 "Keyword "//trim(token)// &
288 " in section "//trim(section%name)//" should not repeat.")
289 IF (ASSOCIATED(last_val, previous_list)) THEN
290 last_val => previous_last
291 ELSE
292 previous_list => last_val
293 END IF
294 DO WHILE (ASSOCIATED(last_val%rest))
295 last_val => last_val%rest
296 END DO
297 last_val%rest => new_val
298 previous_last => new_val
299 END IF
300 END IF
301 END IF
302 END IF
303 END IF
304 END DO
305 CALL timestop(handle)
306 END SUBROUTINE section_vals_parse
307
308! **************************************************************************************************
309!> \brief creates a val_type object by parsing the values
310!> \param val the value that will be created
311!> \param type_of_var type of the value to be created
312!> \param n_var number of values to be parsed (-1: undefined)
313!> \param enum ...
314!> \param parser the parser from where the values should be read
315!> \param unit ...
316!> \param default_units ...
317!> \param default_value a default value if nothing is found (can be null)
318!> \author fawzi
319!> \note
320!> - no_t does not create a value
321! **************************************************************************************************
322 SUBROUTINE val_create_parsing(val, type_of_var, n_var, enum, &
323 parser, unit, default_units, default_value)
324 TYPE(val_type), POINTER :: val
325 INTEGER, INTENT(in) :: type_of_var, n_var
326 TYPE(enumeration_type), POINTER :: enum
327 TYPE(cp_parser_type), INTENT(INOUT) :: parser
328 TYPE(cp_unit_type), POINTER :: unit
329 TYPE(cp_unit_set_type), INTENT(IN) :: default_units
330 TYPE(val_type), OPTIONAL, POINTER :: default_value
331
332 CHARACTER(len=*), PARAMETER :: routinen = 'val_create_parsing'
333
334 CHARACTER(len=default_string_length) :: c_val, info, location
335 CHARACTER(len=default_string_length), &
336 DIMENSION(:), POINTER :: c_val_p
337 INTEGER :: handle, i, i_val
338 INTEGER, DIMENSION(:), POINTER :: i_val_p
339 LOGICAL :: check, eol, l_val, quoted
340 LOGICAL, DIMENSION(:), POINTER :: l_val_p
341 REAL(kind=dp) :: r_val
342 REAL(kind=dp), DIMENSION(:), POINTER :: r_val_p
343 TYPE(cp_sll_char_type), POINTER :: c_first, c_last, c_new
344 TYPE(cp_sll_int_type), POINTER :: i_first, i_last, i_new
345 TYPE(cp_sll_logical_type), POINTER :: l_first, l_last, l_new
346 TYPE(cp_sll_real_type), POINTER :: r_first, r_last, r_new
347
348 CALL timeset(routinen, handle)
349
350 cpassert(.NOT. ASSOCIATED(val))
351 SELECT CASE (type_of_var)
352 CASE (no_t)
353 CASE (logical_t)
354 NULLIFY (l_val_p)
355 IF (parser_test_next_token(parser) == "EOL") THEN
356 IF (.NOT. ASSOCIATED(default_value)) THEN
357 IF (n_var < 1) THEN
358 ALLOCATE (l_val_p(0))
359 CALL val_create(val, l_vals_ptr=l_val_p)
360 ELSE
361 CALL cp_abort(__location__, &
362 "no value was given and there is no default value"// &
363 trim(parser_location(parser)))
364 END IF
365 ELSE
366 cpassert(ASSOCIATED(default_value%l_val))
367 CALL val_create(val, l_vals=default_value%l_val)
368 END IF
369 ELSE
370 IF (n_var < 1) THEN
371 NULLIFY (l_last, l_first)
372 CALL parser_get_object(parser, l_val)
373 CALL cp_create(l_first, l_val)
374 l_last => l_first
375 DO WHILE (parser_test_next_token(parser) /= "EOL")
376 CALL parser_get_object(parser, l_val)
377 CALL cp_create(l_new, l_val)
378 l_last%rest => l_new
379 l_last => l_new
380 END DO
381 l_val_p => cp_to_array(l_first)
382 CALL cp_dealloc(l_first)
383 ELSE
384 ALLOCATE (l_val_p(n_var))
385 DO i = 1, n_var
386 CALL parser_get_object(parser, l_val_p(i))
387 END DO
388 END IF
389 IF (ASSOCIATED(l_val_p)) THEN
390 CALL val_create(val, l_vals_ptr=l_val_p)
391 END IF
392 END IF
393 CASE (integer_t)
394 NULLIFY (i_val_p)
395 IF (parser_test_next_token(parser) == "EOL") THEN
396 IF (.NOT. ASSOCIATED(default_value)) THEN
397 IF (n_var < 1) THEN
398 ALLOCATE (i_val_p(0))
399 CALL val_create(val, i_vals_ptr=i_val_p)
400 ELSE
401 CALL cp_abort(__location__, &
402 "no value was given and there is no default value"// &
403 trim(parser_location(parser)))
404 END IF
405 ELSE
406 check = ASSOCIATED(default_value%i_val)
407 cpassert(check)
408 CALL val_create(val, i_vals=default_value%i_val)
409 END IF
410 ELSE
411 IF (n_var < 1) THEN
412 NULLIFY (i_last, i_first)
413 CALL parser_get_object(parser, i_val)
414 CALL cp_create(i_first, i_val)
415 i_last => i_first
416 DO WHILE (parser_test_next_token(parser) /= "EOL")
417 CALL parser_get_object(parser, i_val)
418 CALL cp_create(i_new, i_val)
419 i_last%rest => i_new
420 i_last => i_new
421 END DO
422 i_val_p => cp_to_array(i_first)
423 CALL cp_dealloc(i_first)
424 ELSE
425 ALLOCATE (i_val_p(n_var))
426 DO i = 1, n_var
427 CALL parser_get_object(parser, i_val_p(i))
428 END DO
429 END IF
430 IF (ASSOCIATED(i_val_p)) THEN
431 CALL val_create(val, i_vals_ptr=i_val_p)
432 END IF
433 END IF
434 CASE (real_t)
435 NULLIFY (r_val_p)
436 IF (parser_test_next_token(parser) == "EOL") THEN
437 IF (.NOT. ASSOCIATED(default_value)) THEN
438 IF (n_var < 1) THEN
439 ALLOCATE (r_val_p(0))
440 CALL val_create(val, r_vals_ptr=r_val_p)
441 ELSE
442 CALL cp_abort(__location__, &
443 "no value was given and there is no default value"// &
444 trim(parser_location(parser)))
445 END IF
446 ELSE
447 cpassert(ASSOCIATED(default_value%r_val))
448 CALL val_create(val, r_vals=default_value%r_val)
449 END IF
450 ELSE
451 IF (n_var < 1) THEN
452 NULLIFY (r_last, r_first)
453 c_val = ""
454 CALL get_r_val(r_val, parser, unit, default_units, c_val)
455 CALL cp_create(r_first, r_val)
456 r_last => r_first
457 DO WHILE (parser_test_next_token(parser) /= "EOL")
458 CALL get_r_val(r_val, parser, unit, default_units, c_val)
459 CALL cp_create(r_new, r_val)
460 r_last%rest => r_new
461 r_last => r_new
462 END DO
463 NULLIFY (r_last)
464 r_val_p => cp_to_array(r_first)
465 CALL cp_dealloc(r_first)
466 ELSE
467 ALLOCATE (r_val_p(n_var))
468 c_val = ""
469 DO i = 1, n_var
470 CALL get_r_val(r_val_p(i), parser, unit, default_units, c_val)
471 END DO
472 END IF
473 IF (ASSOCIATED(r_val_p)) THEN
474 CALL val_create(val, r_vals_ptr=r_val_p)
475 END IF
476 END IF
477 CASE (char_t)
478 NULLIFY (c_val_p)
479 IF (parser_test_next_token(parser) == "EOL") THEN
480 IF (n_var < 1) THEN
481 ALLOCATE (c_val_p(1))
482 c_val_p(1) = ' '
483 CALL val_create(val, c_vals_ptr=c_val_p)
484 ELSE
485 IF (.NOT. ASSOCIATED(default_value)) THEN
486 CALL cp_abort(__location__, &
487 "no value was given and there is no default value"// &
488 trim(parser_location(parser)))
489 ELSE
490 cpassert(ASSOCIATED(default_value%c_val))
491 CALL val_create(val, c_vals=default_value%c_val)
492 END IF
493 END IF
494 ELSE
495 IF (n_var < 1) THEN
496 cpassert(n_var == -1)
497 NULLIFY (c_last, c_first)
498 CALL parser_get_object(parser, c_val)
499 CALL cp_create(c_first, c_val)
500 c_last => c_first
501 DO WHILE (parser_test_next_token(parser) /= "EOL")
502 CALL parser_get_object(parser, c_val)
503 CALL cp_create(c_new, c_val)
504 c_last%rest => c_new
505 c_last => c_new
506 END DO
507 c_val_p => cp_to_array(c_first)
508 CALL cp_dealloc(c_first)
509 ELSE
510 ALLOCATE (c_val_p(n_var))
511 DO i = 1, n_var
512 CALL parser_get_object(parser, c_val_p(i))
513 END DO
514 END IF
515 IF (ASSOCIATED(c_val_p)) THEN
516 CALL val_create(val, c_vals_ptr=c_val_p)
517 END IF
518 END IF
519 CASE (lchar_t)
520 IF (ASSOCIATED(default_value)) &
521 CALL cp_abort(__location__, &
522 "input variables of type lchar_t cannot have a lone keyword attribute,"// &
523 " no value is interpreted as empty string"// &
524 trim(parser_location(parser)))
525 IF (n_var /= 1) &
526 CALL cp_abort(__location__, &
527 "input variables of type lchar_t cannot be repeated,"// &
528 " one always represent a whole line, till the end"// &
529 trim(parser_location(parser)))
530 IF (parser_test_next_token(parser) == "EOL") THEN
531 ALLOCATE (c_val_p(1))
532 c_val_p(1) = ' '
533 ELSE
534 NULLIFY (c_last, c_first)
535 CALL parser_get_object(parser, c_val, string_length=len(c_val))
536 IF (c_val(1:1) == parser%quote_character) THEN
537 quoted = .true.
538 c_val(1:) = c_val(2:) ! Drop first quotation mark
539 i = index(c_val, parser%quote_character) ! Check for second quotation mark
540 IF (i > 0) THEN
541 c_val(i:) = "" ! Discard stuff after second quotation mark
542 eol = .true. ! Enforce end of line
543 ELSE
544 eol = .false.
545 END IF
546 ELSE
547 quoted = .false.
548 eol = .false.
549 END IF
550 CALL cp_create(c_first, c_val)
551 c_last => c_first
552 DO WHILE ((.NOT. eol) .AND. (parser_test_next_token(parser) /= "EOL"))
553 CALL parser_get_object(parser, c_val, string_length=len(c_val))
554 i = index(c_val, parser%quote_character) ! Check for quotation mark
555 IF (i > 0) THEN
556 IF (quoted) THEN
557 c_val(i:) = "" ! Discard stuff after second quotation mark
558 eol = .true. ! Enforce end of line
559 ELSE
560 CALL cp_abort(__location__, &
561 "Quotation mark found which is not the first non-blank character. "// &
562 "Possibly the first quotation mark is missing?"// &
563 trim(parser_location(parser)))
564 END IF
565 ELSE
566 eol = .false.
567 END IF
568 CALL cp_create(c_new, c_val)
569 c_last%rest => c_new
570 c_last => c_new
571 END DO
572 c_val_p => cp_to_array(c_first)
573 CALL cp_dealloc(c_first)
574 END IF
575 cpassert(ASSOCIATED(c_val_p))
576 CALL val_create(val, lc_vals_ptr=c_val_p)
577 CASE (enum_t)
578 cpassert(ASSOCIATED(enum))
579 NULLIFY (i_val_p)
580 IF (parser_test_next_token(parser) == "EOL") THEN
581 IF (.NOT. ASSOCIATED(default_value)) THEN
582 IF (n_var < 1) THEN
583 ALLOCATE (i_val_p(0))
584 CALL val_create(val, i_vals_ptr=i_val_p)
585 ELSE
586 CALL cp_abort(__location__, &
587 "no value was given and there is no default value"// &
588 trim(parser_location(parser)))
589 END IF
590 ELSE
591 cpassert(ASSOCIATED(default_value%i_val))
592 CALL val_create(val, i_vals=default_value%i_val, &
593 enum=default_value%enum)
594 END IF
595 ELSE
596 IF (n_var < 1) THEN
597 NULLIFY (i_last, i_first)
598 CALL parser_get_object(parser, c_val)
599 CALL cp_create(i_first, enum_c2i(enum, c_val))
600 i_last => i_first
601 DO WHILE (parser_test_next_token(parser) /= "EOL")
602 CALL parser_get_object(parser, c_val)
603 CALL cp_create(i_new, enum_c2i(enum, c_val))
604 i_last%rest => i_new
605 i_last => i_new
606 END DO
607 i_val_p => cp_to_array(i_first)
608 CALL cp_dealloc(i_first)
609 ELSE
610 ALLOCATE (i_val_p(n_var))
611 DO i = 1, n_var
612 CALL parser_get_object(parser, c_val)
613 i_val_p(i) = enum_c2i(enum, c_val)
614 END DO
615 END IF
616 IF (ASSOCIATED(i_val_p)) THEN
617 CALL val_create(val, i_vals_ptr=i_val_p, enum=enum)
618 END IF
619 END IF
620 CASE default
621 CALL cp_abort(__location__, &
622 "type "//cp_to_string(type_of_var)//"unknown to the parser")
623 END SELECT
624 IF (parser_test_next_token(parser) .NE. "EOL") THEN
625 location = trim(parser_location(parser))
626 CALL parser_get_object(parser, info)
627 CALL cp_abort(__location__, &
628 "found unexpected extra argument "//trim(info)//" at "//location)
629 END IF
630
631 CALL timestop(handle)
632
633 END SUBROUTINE val_create_parsing
634
635! **************************************************************************************************
636!> \brief Reads and convert a real number from the input file
637!> \param r_val ...
638!> \param parser the parser from where the values should be read
639!> \param unit ...
640!> \param default_units ...
641!> \param c_val ...
642!> \author Teodoro Laino - 11.2007 [tlaino] - University of Zurich
643! **************************************************************************************************
644 SUBROUTINE get_r_val(r_val, parser, unit, default_units, c_val)
645 REAL(kind=dp), INTENT(OUT) :: r_val
646 TYPE(cp_parser_type), INTENT(INOUT) :: parser
647 TYPE(cp_unit_type), POINTER :: unit
648 TYPE(cp_unit_set_type), INTENT(IN) :: default_units
649 CHARACTER(len=default_string_length), &
650 INTENT(INOUT) :: c_val
651
652 TYPE(cp_unit_type), POINTER :: my_unit
653
654 NULLIFY (my_unit)
655 IF (ASSOCIATED(unit)) THEN
656 IF ('STR' == parser_test_next_token(parser)) THEN
657 CALL parser_get_object(parser, c_val)
658 IF (c_val(1:1) /= "[" .OR. c_val(len_trim(c_val):len_trim(c_val)) /= "]") THEN
659 CALL cp_abort(__location__, &
660 "Invalid unit specifier or function found when parsing a number: "// &
661 c_val)
662 END IF
663 ALLOCATE (my_unit)
664 CALL cp_unit_create(my_unit, c_val(2:len_trim(c_val) - 1))
665 ELSE
666 IF (c_val /= "") THEN
667 ALLOCATE (my_unit)
668 CALL cp_unit_create(my_unit, c_val(2:len_trim(c_val) - 1))
669 ELSE
670 my_unit => unit
671 END IF
672 END IF
673 IF (.NOT. cp_unit_compatible(unit, my_unit)) &
674 CALL cp_abort(__location__, &
675 "Incompatible units. Defined as ("// &
676 trim(cp_unit_desc(unit))//") specified in input as ("// &
677 trim(cp_unit_desc(my_unit))//"). These units are incompatible!")
678 END IF
679 CALL parser_get_object(parser, r_val)
680 IF (ASSOCIATED(unit)) THEN
681 r_val = cp_unit_to_cp2k1(r_val, my_unit, default_units)
682 IF (.NOT. (ASSOCIATED(my_unit, unit))) THEN
683 CALL cp_unit_release(my_unit)
684 DEALLOCATE (my_unit)
685 END IF
686 END IF
687
688 END SUBROUTINE get_r_val
689
690END 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:501
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:1614
input_section_types::typo_match_section
type(section_type), pointer, save, public typo_match_section
Definition input_section_types.F:134
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:429
input_section_types::typo_matching_rank
integer, dimension(n_typo_matches), public typo_matching_rank
Definition input_section_types.F:136
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:471
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:304
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:373
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:137
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:841
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:3361
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:126
input_val_types::val_type
a type to have a wrapper that stores any basic fortran type
Definition input_val_types.F:63