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add attr_ prefix to the template file name for numerical attributes

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This commit is contained in:
q-posev 2021-09-21 10:41:37 +02:00
parent c22e9d2925
commit 11a17c65d3
6 changed files with 81 additions and 70 deletions
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113
src/templates_front/templator_front.org
View File

@ -1054,6 +1054,7 @@ def close(trexio_file):
, "charge" : [ "float", [ "nucleus.num" ] ]
, "coord" : [ "float", [ "nucleus.num", "3" ] ]
, "label" : [ "str" , [ "nucleus.num" ] ]
, "point_group" : [ "str" , [ ] ]
}
}
#+end_src
@ -1066,31 +1067,32 @@ def close(trexio_file):
All templates presented below use the ~$var$~ notation to indicate
the variable, which will be replaced by the
~generator.py~. Sometimes the upper case is used, i.e. ~$VAR$~ (for
~generator.py~. Sometimes the upper case is used, i.e. ~$VAR$~ (for
example, in ~#define~ statements). More detailed description of
each variable can be found below:
| Template variable | Description | Example |
|--------------------------------+-----------------------------------------------------+----------------------|
| ~$group$~ | Name of the group | ~nucleus~ |
| ~$group_num$~ | Name of the dimensioning variable (scalar) | ~nucleus_num~ |
| ~$group_dset$~ | Name of the dataset (vector/matrix/tensor) | ~nucleus_coord~ |
| ~$group_dset_rank$~ | Rank of the dataset | ~2~ |
| ~$group_dset_dim$~ | Selected dimension of the dataset | ~nucleus_num~ |
| ~$group_dset_dim_list$~ | All dimensions of the dataset | ~{nucleus_num, 3}~ |
| ~$group_dset_dtype$~ | Basic type of the dataset (int/float/char) | ~float~ |
| ~$group_dset_h5_dtype$~ | Type of the dataset in HDF5 | ~double~ |
| ~$group_dset_std_dtype_in$~ | Input type of the dataset in TEXT [fscanf] | ~%lf~ |
| ~$group_dset_std_dtype_out$~ | Output type of the dataset in TEXT [fprintf] | ~%24.16e~ |
| ~$group_dset_dtype_default$~ | Default datatype of the dataset [C] | ~double/int32_t~ |
| ~$group_dset_dtype_single$~ | Single precision datatype of the dataset [C] | ~float/int32_t~ |
| ~$group_dset_dtype_double$~ | Double precision datatype of the dataset [C] | ~double/int64_t~ |
| ~$default_prec$~ | Default precision for read/write without suffix [C] | ~64/32~ |
| ~$group_dset_f_dtype_default$~ | Default datatype of the dataset [Fortran] | ~real(8)/integer(4)~ |
| ~$group_dset_f_dtype_single$~ | Single precision datatype of the dataset [Fortran] | ~real(4)/integer(4)~ |
| ~$group_dset_f_dtype_double$~ | Double precision datatype of the dataset [Fortran] | ~real(8)/integer(8)~ |
| ~$group_dset_f_dims$~ | Dimensions in Fortran | ~(:,:)~ |
| ~$group_dset_py_dtype$~ | Standard datatype of the dataset [Python] | ~float/int~ |
| Template variable | Description | Example |
|--------------------------------+-----------------------------------------------------+-----------------------|
| ~$group$~ | Name of the group | ~nucleus~ |
| ~$group_num$~ | Name of the numerical attribute (scalar) | ~nucleus_num~ |
| ~$group_str$~ | Name of the string attribute (scalar) | ~nucleus_point_group~ |
| ~$group_dset$~ | Name of the dataset (vector/matrix/tensor) | ~nucleus_coord~ |
| ~$group_dset_rank$~ | Rank of the dataset | ~2~ |
| ~$group_dset_dim$~ | Selected dimension of the dataset | ~nucleus_num~ |
| ~$group_dset_dim_list$~ | All dimensions of the dataset | ~{nucleus_num, 3}~ |
| ~$group_dset_dtype$~ | Basic type of the dataset (int/float/char) | ~float~ |
| ~$group_dset_h5_dtype$~ | Type of the dataset in HDF5 | ~double~ |
| ~$group_dset_std_dtype_in$~ | Input type of the dataset in TEXT [fscanf] | ~%lf~ |
| ~$group_dset_std_dtype_out$~ | Output type of the dataset in TEXT [fprintf] | ~%24.16e~ |
| ~$group_dset_dtype_default$~ | Default datatype of the dataset [C] | ~double/int32_t~ |
| ~$group_dset_dtype_single$~ | Single precision datatype of the dataset [C] | ~float/int32_t~ |
| ~$group_dset_dtype_double$~ | Double precision datatype of the dataset [C] | ~double/int64_t~ |
| ~$default_prec$~ | Default precision for read/write without suffix [C] | ~64/32~ |
| ~$group_dset_f_dtype_default$~ | Default datatype of the dataset [Fortran] | ~real(8)/integer(4)~ |
| ~$group_dset_f_dtype_single$~ | Single precision datatype of the dataset [Fortran] | ~real(4)/integer(4)~ |
| ~$group_dset_f_dtype_double$~ | Double precision datatype of the dataset [Fortran] | ~real(8)/integer(8)~ |
| ~$group_dset_f_dims$~ | Dimensions in Fortran | ~(:,:)~ |
| ~$group_dset_py_dtype$~ | Standard datatype of the dataset [Python] | ~float/int~ |
Note: parent group name is always added to the child objects upon
@ -1110,19 +1112,21 @@ def close(trexio_file):
*read* and *write* functionality. TREXIO supports I/O with single
or double precision for integer and floating point numbers.
** Templates for front end has/read/write a single dimensioning variable
** Templates for front end has/read/write a single numerical attribute
*** Introduction
This section concerns API calls related to dimensioning variables.
This section concerns API calls related to numerical attributes,
namely single value of int/float types.
| Function name | Description | Precision |
|-------------------------------+---------------------------------------------------+-----------|
| ~trexio_has_$group_num$~ | Check if a dimensioning variable exists in a file | --- |
| ~trexio_read_$group_num$~ | Read a dimensioning variable | Single |
| ~trexio_write_$group_num$~ | Write a dimensioning variable | Single |
| ~trexio_read_$group_num$_32~ | Read a dimensioning variable | Single |
| ~trexio_write_$group_num$_32~ | Write a dimensioning variable | Single |
| ~trexio_read_$group_num$_64~ | Read a dimensioning variable | Double |
| ~trexio_write_$group_num$_64~ | Write a dimensioning variable | Double |
| Function name | Description | Precision |
|-------------------------------+----------------------------------------+-----------|
| ~trexio_has_$group_num$~ | Check if an attribute exists in a file | --- |
| ~trexio_read_$group_num$~ | Read a attribute | Single |
| ~trexio_write_$group_num$~ | Write a attribute | Single |
| ~trexio_read_$group_num$_32~ | Read a attribute | Single |
| ~trexio_write_$group_num$_32~ | Write a attribute | Single |
| ~trexio_read_$group_num$_64~ | Read a attribute | Double |
| ~trexio_write_$group_num$_64~ | Write a attribute | Double |
*** C templates for front end
@ -1137,7 +1141,7 @@ def close(trexio_file):
**** Function declarations
#+begin_src c :tangle hrw_num_front.h :exports none
#+begin_src c :tangle hrw_attr_num_front.h :exports none
trexio_exit_code trexio_has_$group_num$(trexio_t* const file);
trexio_exit_code trexio_read_$group_num$(trexio_t* const file, $group_num_dtype_default$* const num);
trexio_exit_code trexio_write_$group_num$(trexio_t* const file, const $group_num_dtype_default$ num);
@ -1149,7 +1153,7 @@ trexio_exit_code trexio_write_$group_num$_64(trexio_t* const file, const $group_
**** Source code for double precision functions
#+begin_src c :tangle read_num_64_front.c
#+begin_src c :tangle read_attr_num_64_front.c
trexio_exit_code
trexio_read_$group_num$_64 (trexio_t* const file, $group_num_dtype_double$* const num)
{
@ -1176,7 +1180,7 @@ trexio_read_$group_num$_64 (trexio_t* const file, $group_num_dtype_double$* cons
}
#+end_src
#+begin_src c :tangle write_num_64_front.c
#+begin_src c :tangle write_attr_num_64_front.c
trexio_exit_code
trexio_write_$group_num$_64 (trexio_t* const file, const $group_num_dtype_double$ num)
{
@ -1206,7 +1210,7 @@ trexio_write_$group_num$_64 (trexio_t* const file, const $group_num_dtype_double
**** Source code for single precision functions
#+begin_src c :tangle read_num_32_front.c
#+begin_src c :tangle read_attr_num_32_front.c
trexio_exit_code
trexio_read_$group_num$_32 (trexio_t* const file, $group_num_dtype_single$* const num)
{
@ -1239,7 +1243,7 @@ trexio_read_$group_num$_32 (trexio_t* const file, $group_num_dtype_single$* cons
}
#+end_src
#+begin_src c :tangle write_num_32_front.c
#+begin_src c :tangle write_attr_num_32_front.c
trexio_exit_code
trexio_write_$group_num$_32 (trexio_t* const file, const $group_num_dtype_single$ num)
{
@ -1270,7 +1274,7 @@ trexio_write_$group_num$_32 (trexio_t* const file, const $group_num_dtype_single
**** Source code for default functions
#+begin_src c :tangle read_num_def_front.c
#+begin_src c :tangle read_attr_num_def_front.c
trexio_exit_code
trexio_read_$group_num$ (trexio_t* const file, $group_num_dtype_default$ * const num)
{
@ -1278,7 +1282,7 @@ trexio_read_$group_num$ (trexio_t* const file, $group_num_dtype_default$ * const
}
#+end_src
#+begin_src c :tangle write_num_def_front.c
#+begin_src c :tangle write_attr_num_def_front.c
trexio_exit_code
trexio_write_$group_num$ (trexio_t* const file, const $group_num_dtype_default$ num)
{
@ -1286,7 +1290,7 @@ trexio_write_$group_num$ (trexio_t* const file, const $group_num_dtype_default$
}
#+end_src
#+begin_src c :tangle has_num_front.c
#+begin_src c :tangle has_attr_num_front.c
trexio_exit_code
trexio_has_$group_num$ (trexio_t* const file)
{
@ -1320,7 +1324,7 @@ trexio_has_$group_num$ (trexio_t* const file)
The ~Fortran~ templates that provide an access to the ~C~ API calls from Fortran.
These templates are based on the use of ~iso_c_binding~. Pointers have to be passed by value.
#+begin_src f90 :tangle write_num_64_front_fortran.f90
#+begin_src f90 :tangle write_attr_num_64_front_fortran.f90
interface
integer function trexio_write_$group_num$_64 (trex_file, num) bind(C)
use, intrinsic :: iso_c_binding
@ -1330,7 +1334,7 @@ interface
end interface
#+end_src
#+begin_src f90 :tangle read_num_64_front_fortran.f90
#+begin_src f90 :tangle read_attr_num_64_front_fortran.f90
interface
integer function trexio_read_$group_num$_64 (trex_file, num) bind(C)
use, intrinsic :: iso_c_binding
@ -1340,7 +1344,7 @@ interface
end interface
#+end_src
#+begin_src f90 :tangle write_num_32_front_fortran.f90
#+begin_src f90 :tangle write_attr_num_32_front_fortran.f90
interface
integer function trexio_write_$group_num$_32 (trex_file, num) bind(C)
use, intrinsic :: iso_c_binding
@ -1350,7 +1354,7 @@ interface
end interface
#+end_src
#+begin_src f90 :tangle read_num_32_front_fortran.f90
#+begin_src f90 :tangle read_attr_num_32_front_fortran.f90
interface
integer function trexio_read_$group_num$_32 (trex_file, num) bind(C)
use, intrinsic :: iso_c_binding
@ -1360,7 +1364,7 @@ interface
end interface
#+end_src
#+begin_src f90 :tangle write_num_def_front_fortran.f90
#+begin_src f90 :tangle write_attr_num_def_front_fortran.f90
interface
integer function trexio_write_$group_num$ (trex_file, num) bind(C)
use, intrinsic :: iso_c_binding
@ -1370,7 +1374,7 @@ interface
end interface
#+end_src
#+begin_src f90 :tangle read_num_def_front_fortran.f90
#+begin_src f90 :tangle read_attr_num_def_front_fortran.f90
interface
integer function trexio_read_$group_num$ (trex_file, num) bind(C)
use, intrinsic :: iso_c_binding
@ -1380,7 +1384,7 @@ interface
end interface
#+end_src
#+begin_src f90 :tangle has_num_front_fortran.f90
#+begin_src f90 :tangle has_attr_num_front_fortran.f90
interface
integer function trexio_has_$group_num$ (trex_file) bind(C)
use, intrinsic :: iso_c_binding
@ -1391,7 +1395,7 @@ end interface
*** Python templates for front end
#+begin_src python :tangle write_num_front.py
#+begin_src python :tangle write_attr_num_front.py
def write_$group_num$(trexio_file, num_w: $group_num_py_dtype$) -> None:
"""Write the $group_num$ variable in the TREXIO file.
@ -1416,7 +1420,7 @@ def write_$group_num$(trexio_file, num_w: $group_num_py_dtype$) -> None:
raise
#+end_src
#+begin_src python :tangle read_num_front.py
#+begin_src python :tangle read_attr_num_front.py
def read_$group_num$(trexio_file) -> $group_num_py_dtype$:
"""Read the $group_num$ variable from the TREXIO file.
@ -1441,7 +1445,7 @@ def read_$group_num$(trexio_file) -> $group_num_py_dtype$:
return num_r
#+end_src
#+begin_src python :tangle has_num_front.py
#+begin_src python :tangle has_attr_num_front.py
def has_$group_num$(trexio_file) -> bool:
"""Check that $group_num$ variable exists in the TREXIO file.
@ -1469,6 +1473,7 @@ def has_$group_num$(trexio_file) -> bool:
#+end_src
** Templates for front end has/read/write a dataset of numerical data
*** Introduction
This section concerns API calls related to datasets.
@ -2325,6 +2330,7 @@ trexio_read_chunk_ao_2e_int_eri_value_64(trexio_t* const file,
First parameter is the ~TREXIO~ file handle. Second parameter is the variable to be written/read
to/from the ~TREXIO~ file (except for ~trexio_has_~ functions).
**** Function declarations
#+begin_src c :tangle hrw_dset_str_front.h :exports none
trexio_exit_code trexio_has_$group_dset$(trexio_t* const file);
@ -2334,6 +2340,8 @@ trexio_exit_code trexio_read_$group_dset$(trexio_t* const file, char** dset_out,
trexio_exit_code trexio_write_$group_dset$(trexio_t* const file, const char** dset_in, const int32_t max_str_len);
#+end_src
**** Source code for default functions
#+begin_src c :tangle read_dset_str_front.c
trexio_exit_code
trexio_read_$group_dset$_low (trexio_t* const file, char* dset_out, const int32_t max_str_len)
@ -2777,6 +2785,7 @@ def has_$group_dset$(trexio_file) -> bool:
| ~trexio_write_$group_str$~ | Write a string attribute |
*** C templates for front end
**** Function declarations
#+begin_src c :tangle hrw_attr_str_front.h :exports none
trexio_exit_code trexio_has_$group_str$(trexio_t* const file);
@ -2784,6 +2793,8 @@ trexio_exit_code trexio_read_$group_str$(trexio_t* const file, char* const str_o
trexio_exit_code trexio_write_$group_str$(trexio_t* const file, const char* str, const int32_t max_str_len);
#+end_src
**** Source code for default functions
#+begin_src c :tangle read_attr_str_front.c
trexio_exit_code
trexio_read_$group_str$ (trexio_t* const file, char* const str_out, const int32_t max_str_len)

16
src/templates_hdf5/templator_hdf5.org
View File

@ -152,16 +152,16 @@ trexio_hdf5_deinit (trexio_t* const file)
}
#+end_src
** Template for HDF5 has/read/write a single dimensioning variable
** Template for HDF5 has/read/write the numerical attribute
#+begin_src c :tangle hrw_num_hdf5.h :exports none
#+begin_src c :tangle hrw_attr_num_hdf5.h :exports none
trexio_exit_code trexio_hdf5_has_$group_num$ (trexio_t* const file);
trexio_exit_code trexio_hdf5_read_$group_num$ (trexio_t* const file, $group_num_dtype_double$ * const num);
trexio_exit_code trexio_hdf5_write_$group_num$(trexio_t* const file, const $group_num_dtype_double$ num);
#+end_src
#+begin_src c :tangle read_num_hdf5.c
#+begin_src c :tangle read_attr_num_hdf5.c
trexio_exit_code
trexio_hdf5_read_$group_num$ (trexio_t* const file, $group_num_dtype_double$ * const num)
{
@ -189,7 +189,7 @@ trexio_hdf5_read_$group_num$ (trexio_t* const file, $group_num_dtype_double$ * c
#+end_src
#+begin_src c :tangle write_num_hdf5.c
#+begin_src c :tangle write_attr_num_hdf5.c
trexio_exit_code
trexio_hdf5_write_$group_num$ (trexio_t* const file, const $group_num_dtype_double$ num)
{
@ -227,7 +227,7 @@ trexio_hdf5_write_$group_num$ (trexio_t* const file, const $group_num_dtype_doub
}
#+end_src
#+begin_src c :tangle has_num_hdf5.c
#+begin_src c :tangle has_attr_num_hdf5.c
trexio_exit_code
trexio_hdf5_has_$group_num$ (trexio_t* const file)
{
@ -249,7 +249,7 @@ trexio_hdf5_has_$group_num$ (trexio_t* const file)
}
#+end_src
** Template for HDF5 has/read/write a dataset of numerical data
** Template for HDF5 has/read/write the dataset of numerical data
#+begin_src c :tangle hrw_dset_data_hdf5.h :exports none
trexio_exit_code trexio_hdf5_has_$group_dset$(trexio_t* const file);
@ -373,7 +373,7 @@ trexio_hdf5_has_$group_dset$ (trexio_t* const file)
}
#+end_src
** Template for HDF5 has/read/write a dataset of strings
** Template for HDF5 has/read/write the dataset of strings
#+begin_src c :tangle hrw_dset_str_hdf5.h :exports none
trexio_exit_code trexio_hdf5_has_$group_dset$(trexio_t* const file);
@ -579,7 +579,7 @@ trexio_hdf5_has_$group_dset$ (trexio_t* const file)
}
#+end_src
** Template for HDF5 has/read/write a single string attribute
** Template for HDF5 has/read/write the string attribute
#+begin_src c :tangle hrw_attr_str_hdf5.h :exports none
trexio_exit_code trexio_hdf5_has_$group_str$ (trexio_t* const file);

8
src/templates_text/build.sh
View File

@ -19,19 +19,19 @@ cat populated/pop_flush_group_text.h >> trexio_text.h
cat populated/pop_has_dset_data_text.c >> trexio_text.c
cat populated/pop_has_dset_str_text.c >> trexio_text.c
cat populated/pop_has_num_text.c >> trexio_text.c
cat populated/pop_has_attr_num_text.c >> trexio_text.c
cat populated/pop_has_attr_str_text.c >> trexio_text.c
cat populated/pop_read_dset_data_text.c >> trexio_text.c
cat populated/pop_read_dset_str_text.c >> trexio_text.c
cat populated/pop_read_attr_str_text.c >> trexio_text.c
cat populated/pop_read_num_text.c >> trexio_text.c
cat populated/pop_read_attr_num_text.c >> trexio_text.c
cat populated/pop_write_dset_data_text.c >> trexio_text.c
cat populated/pop_write_dset_str_text.c >> trexio_text.c
cat populated/pop_write_attr_str_text.c >> trexio_text.c
cat populated/pop_write_num_text.c >> trexio_text.c
cat populated/pop_hrw_num_text.h >> trexio_text.h
cat populated/pop_write_attr_num_text.c >> trexio_text.c
cat populated/pop_hrw_dset_data_text.h >> trexio_text.h
cat populated/pop_hrw_dset_str_text.h >> trexio_text.h
cat populated/pop_hrw_attr_num_text.h >> trexio_text.h
cat populated/pop_hrw_attr_str_text.h >> trexio_text.h
cat rdm_text.c >> trexio_text.c

10
src/templates_text/templator_text.org
View File

@ -624,15 +624,15 @@ trexio_text_free_$group$ (trexio_text_t* const file)
}
#+end_src
** Template for has/read/write the num attribute
** Template for has/read/write the numerical attribute
#+begin_src c :tangle hrw_num_text.h :exports none
#+begin_src c :tangle hrw_attr_num_text.h :exports none
trexio_exit_code trexio_text_has_$group_num$ (trexio_t* const file);
trexio_exit_code trexio_text_read_$group_num$ (trexio_t* const file, $group_num_dtype_double$ * const num);
trexio_exit_code trexio_text_write_$group_num$(trexio_t* const file, const $group_num_dtype_double$ num);
#+end_src
#+begin_src c :tangle read_num_text.c
#+begin_src c :tangle read_attr_num_text.c
trexio_exit_code
trexio_text_read_$group_num$ (trexio_t* const file, $group_num_dtype_double$ * const num)
{
@ -650,7 +650,7 @@ trexio_text_read_$group_num$ (trexio_t* const file, $group_num_dtype_double$ * c
}
#+end_src
#+begin_src c :tangle write_num_text.c
#+begin_src c :tangle write_attr_num_text.c
trexio_exit_code
trexio_text_write_$group_num$ (trexio_t* const file, const $group_num_dtype_double$ num)
{
@ -669,7 +669,7 @@ trexio_text_write_$group_num$ (trexio_t* const file, const $group_num_dtype_doub
}
#+end_src
#+begin_src c :tangle has_num_text.c
#+begin_src c :tangle has_attr_num_text.c
trexio_exit_code
trexio_text_has_$group_num$ (trexio_t* const file)
{

2
tools/generator.py
View File

@ -41,7 +41,7 @@ for fname in files_todo['auxiliary']:
iterative_populate_file(fname, template_paths, group_dict, detailed_dsets, detailed_nums, detailed_strs)
# populate has/read/write_num functions with recursive scheme
for fname in files_todo['num']:
for fname in files_todo['attr_num']:
recursive_populate_file(fname, template_paths, detailed_nums)
# populate has/read/write_str functions with recursive scheme

2
tools/generator_tools.py
View File

@ -39,7 +39,7 @@ def get_files_todo(source_files: dict) -> dict:
files_todo = {}
#files_todo['all'] = list(filter(lambda x: 'read' in x or 'write' in x or 'has' in x or 'hrw' in x or 'flush' in x or 'free' in x, all_files))
files_todo['all'] = [f for f in all_files if 'read' in f or 'write' in f or 'has' in f or 'flush' in f or 'free' in f or 'hrw' in f]
for key in ['dset_data', 'dset_str', 'num', 'attr_str', 'group']:
for key in ['dset_data', 'dset_str', 'attr_num', 'attr_str', 'group']:
files_todo[key] = list(filter(lambda x: key in x, files_todo['all']))
files_todo['group'].append('struct_text_group_dset.h')