(git:b195825)
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 ! **************************************************************************************************
14 MODULE 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 !***
56 CONTAINS
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 
690 END MODULE input_parsing
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::uppercase
elemental subroutine, public uppercase(string)
Convert all lower case characters in a string to upper case.
Definition: string_utilities.F:3361