mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-12-22 12:23:54 +01:00
Add state attrbitute and corresponding functions
+ remove useless try/except statements in the Python API
This commit is contained in:
parent
f0189cb8da
commit
d234694f33
@ -527,16 +527,10 @@ def string_of_error(return_code: int) -> str:
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"""Decode the TREXIO exit code.
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Argument is an integer return code that correspond to one of the TREXIO errors.
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Returns string that contains description of TREXIO ~return_code~.
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Returns a string that contains description of TREXIO ~return_code~.
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"""
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try:
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error_str = pytr.trexio_string_of_error(return_code)
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except:
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raise
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return error_str
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return pytr.trexio_string_of_error(return_code)
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#+end_src
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** Back ends
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@ -684,12 +678,15 @@ struct trexio_s {
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back_end_t back_end;
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char mode;
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bool one_based;
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int32_t state;
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char version[16];
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char padding[6]; /* Ensures the proper alignment of back ends */
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};
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#+end_src
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*** TREXIO_File Python class
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File class for the Python API is defined below.
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Use of Python class make it more intuitive and more python-ic
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to work with TREXIO files.
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#+begin_src python :tangle basic_python.py
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class File:
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@ -707,6 +704,9 @@ class File:
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mode: str
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One of the currently supported TREXIO open modes.
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For example, 'r' or 'w'.
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state: int
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Active state of the file (needed to write determinant_coefficient).
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Default is 0.
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isOpen: bool
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Flag indicating whether the current object is still open for I/O
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pytrexio_s:
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@ -724,6 +724,7 @@ class File:
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self.filename = filename
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self.mode = mode
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self.back_end = back_end
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self.state = 0
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self.isOpen = False
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self.exists = False
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@ -759,6 +760,29 @@ class File:
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raise Exception("TREXIO File object has not been opened.")
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def set_state(self, state):
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"""Set the state of the TREXIO File."""
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if not isinstance(state, int):
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raise TypeError("state argument has to be int")
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rc = pytr.trexio_set_state(self.pytrexio_s, state)
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if rc != TREXIO_SUCCESS:
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raise Error(rc)
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self.state = state
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def get_state(self):
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"""Get the state of the TREXIO File."""
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rc, state = pytr.trexio_get_state(self.pytrexio_s)
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if rc != TREXIO_SUCCESS:
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raise Error(rc)
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if state != self.state:
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raise Exception("Inconsistent state of the TREXIO file.")
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return self.state
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def inquire(self):
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"""Inquire whether a TREXIO file exists."""
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self.exists = _inquire(self.filename)
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@ -774,7 +798,7 @@ class File:
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pass
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#+end_src
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** Polymorphism of the file handle
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** TODO (Remove) : Polymorphism of the file handle
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Polymorphism of the ~trexio_t~ type is handled by ensuring that the
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corresponding types for all back ends can be safely casted to
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@ -939,6 +963,7 @@ trexio_open(const char* file_name, const char mode,
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result->back_end = back_end_local;
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result->mode = mode;
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result->one_based = false; // Need to be flipped in Fortran interface
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result->state = 0; // By default the file corresponds to a ground state
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int irc = pthread_mutex_init ( &(result->thread_lock), NULL);
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if (irc != 0) {
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if (rc_open != NULL) *rc_open = TREXIO_FAILURE;
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@ -1297,12 +1322,9 @@ def _close(trexio_file):
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Parameter is a ~trexio_file~ object that has been created by a call to ~open~ function.
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"""
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try:
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rc = pytr.trexio_close(trexio_file)
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if rc != TREXIO_SUCCESS:
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raise Error(rc)
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except:
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raise
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#+end_src
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** File existence
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@ -1388,6 +1410,74 @@ def _inquire(file_name: str) -> bool:
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raise Error(rc)
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#+end_src
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** File state
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~trexio_set_state~ set an existing ~trexio_t~ file handle to a given state.
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~trexio_get_state~ returns current sate of the ~trexio_t~ file handle.
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input parameters:
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~file~ -- TREXIO file handle.
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~state~ -- ~int32_t~ number of state.
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output:
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~trexio_exit_code~ exit code.
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*** C
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#+begin_src c :tangle prefix_front.h :exports none
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trexio_exit_code trexio_set_state(trexio_t* file, const int32_t num);
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trexio_exit_code trexio_get_state(trexio_t* file, int32_t* const num);
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#+end_src
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#+begin_src c :tangle prefix_front.c
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trexio_exit_code
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trexio_set_state (trexio_t* file, const int32_t num)
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{
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if (file == NULL) return TREXIO_INVALID_ARG_1;
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file->state = num;
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return TREXIO_SUCCESS;
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}
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trexio_exit_code
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trexio_get_state (trexio_t* file, int32_t* const num)
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{
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if (file == NULL) return TREXIO_INVALID_ARG_1;
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if (num == NULL) return TREXIO_INVALID_ARG_2;
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*num = file->state;
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return TREXIO_SUCCESS;
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}
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#+end_src
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*** Fortran
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#+begin_src f90 :tangle prefix_fortran.f90
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interface
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integer(trexio_exit_code) function trexio_set_state (trex_file, state) bind(C)
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use, intrinsic :: iso_c_binding
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import
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integer(c_int64_t), intent(in), value :: trex_file
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integer(c_int32_t), intent(in), value :: state
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end function trexio_set_state
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end interface
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interface
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integer(trexio_exit_code) function trexio_get_state (trex_file, state) bind(C)
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use, intrinsic :: iso_c_binding
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import
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integer(c_int64_t), intent(in), value :: trex_file
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integer(c_int32_t), intent(out) :: state
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end function trexio_get_state
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end interface
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#+end_src
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*** Python
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See TREXIO File Python class.
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* Templates for front end
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** Description
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@ -1787,12 +1877,9 @@ def write_$group_num$(trexio_file, num_w: $group_num_py_dtype$) -> None:
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- Exception from some other error (e.g. RuntimeError).
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"""
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try:
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rc = pytr.trexio_write_$group_num$(trexio_file.pytrexio_s, num_w)
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if rc != TREXIO_SUCCESS:
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raise Error(rc)
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except:
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raise
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#+end_src
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#+begin_src python :tangle read_attr_num_front.py
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@ -1810,12 +1897,9 @@ def read_$group_num$(trexio_file) -> $group_num_py_dtype$:
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- Exception from some other error (e.g. RuntimeError).
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"""
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try:
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rc, num_r = pytr.trexio_read_$group_num$(trexio_file.pytrexio_s)
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if rc != TREXIO_SUCCESS:
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raise Error(rc)
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except:
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raise
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return num_r
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#+end_src
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@ -1834,17 +1918,11 @@ def has_$group_num$(trexio_file) -> bool:
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- Exception from some other error (e.g. RuntimeError).
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"""
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try:
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rc = pytr.trexio_has_$group_num$(trexio_file.pytrexio_s)
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if rc == TREXIO_FAILURE:
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raise Error(rc)
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except:
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raise
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if rc == TREXIO_SUCCESS:
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return True
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else:
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return False
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return rc == TREXIO_SUCCESS
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#+end_src
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** Templates for front end has/read/write a dataset of numerical data
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@ -2553,44 +2631,32 @@ def read_$group_dset$(trexio_file, dim = None, doReshape = None, dtype = None):
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if shape is None and doReshape:
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raise ValueError("Reshaping failure: shape is None.")
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try:
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rc, dset_64 = pytr.trexio_read_safe_$group_dset$_64(trexio_file.pytrexio_s, dim)
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rc, dset_64 = pytr.trexio_read_safe_$group_dset$_64(trexio_file.pytrexio_s, dim)
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if rc != TREXIO_SUCCESS:
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raise Error(rc)
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except:
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raise
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isConverted = False
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dset_converted = None
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if dtype is not None:
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try:
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assert isinstance(dtype, type)
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except AssertionError:
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raise TypeError("dtype argument has to be an instance of the type class (e.g. np.float32).")
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if not dtype==np.int64 or not dtype==np.float64:
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try:
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dset_converted = np.array(dset_64, dtype=dtype)
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except:
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raise
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isConverted = True
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# additional assert can be added here to check that read_safe functions returns numpy array of proper dimension
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if doReshape:
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try:
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# in-place reshaping did not work so I have to make a copy
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if isConverted:
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dset_reshaped = np.reshape(dset_converted, shape, order='C')
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else:
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dset_reshaped = np.reshape(dset_64, shape, order='C')
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except:
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raise
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if isConverted:
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return dset_converted
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@ -2614,17 +2680,11 @@ def has_$group_dset$(trexio_file) -> bool:
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- Exception from some other error (e.g. RuntimeError).
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"""
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try:
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rc = pytr.trexio_has_$group_dset$(trexio_file.pytrexio_s)
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if rc == TREXIO_FAILURE:
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raise Error(rc)
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except:
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raise
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if rc == TREXIO_SUCCESS:
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return True
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else:
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return False
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return rc == TREXIO_SUCCESS
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#+end_src
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** Templates for front end has/read/write a dataset of sparse data
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@ -3245,12 +3305,9 @@ def read_$group_dset$_size(trexio_file) -> int:
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- Exception from some other error (e.g. RuntimeError).
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"""
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try:
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rc, num_integral = pytr.trexio_read_$group_dset$_size(trexio_file.pytrexio_s)
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if rc != TREXIO_SUCCESS:
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raise Error(rc)
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except:
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raise
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return num_integral
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#+end_src
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@ -3269,17 +3326,11 @@ def has_$group_dset$(trexio_file) -> bool:
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- Exception from some other error (e.g. RuntimeError).
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"""
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try:
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rc = pytr.trexio_has_$group_dset$(trexio_file.pytrexio_s)
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if rc == TREXIO_FAILURE:
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raise Error(rc)
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except:
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raise
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if rc == TREXIO_SUCCESS:
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return True
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else:
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return False
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return rc == TREXIO_SUCCESS
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#+end_src
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** Templates for front end has/read/write a dataset of strings
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@ -3662,14 +3713,9 @@ def write_$group_dset$(trexio_file, dset_w: list) -> None:
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max_str_length = len(max(dset_w, key=len)) + 1
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try:
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rc = pytr.trexio_write_$group_dset$(trexio_file.pytrexio_s, dset_w, max_str_length)
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if rc != TREXIO_SUCCESS:
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raise Error(rc)
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except:
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raise
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#+end_src
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#+begin_src python :tangle read_dset_str_front.py
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@ -3704,22 +3750,15 @@ def read_$group_dset$(trexio_file, dim = None) -> list:
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dim *= dims_list[i]
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try:
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rc, dset_1d_r = pytr.trexio_read_$group_dset$_low(trexio_file.pytrexio_s, PYTREXIO_MAX_STR_LENGTH)
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if rc != TREXIO_SUCCESS:
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raise Error(rc)
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except:
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raise
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try:
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dset_full = dset_1d_r.split(pytr.TREXIO_DELIM)
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dset_2d_r = [dset_full[i] for i in range(dim) if dset_full[i]]
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if not dset_2d_r:
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raise ValueError(f"Output of {read_$group_dset$.__name__} function cannot be an empty list.")
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except:
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raise
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return dset_2d_r
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#+end_src
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@ -3738,17 +3777,11 @@ def has_$group_dset$(trexio_file) -> bool:
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- Exception from some other error (e.g. RuntimeError).
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"""
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try:
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rc = pytr.trexio_has_$group_dset$(trexio_file.pytrexio_s)
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if rc == TREXIO_FAILURE:
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raise Error(rc)
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except:
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raise
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if rc == TREXIO_SUCCESS:
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return True
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else:
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return False
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return rc == TREXIO_SUCCESS
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#+end_src
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** Templates for front end has/read/write a single string attribute
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@ -3961,13 +3994,9 @@ def write_$group_str$(trexio_file, str_w: str) -> None:
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max_str_length = len(str_w) + 1
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try:
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rc = pytr.trexio_write_$group_str$(trexio_file.pytrexio_s, str_w, max_str_length)
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if rc != TREXIO_SUCCESS:
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raise Error(rc)
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except:
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raise
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#+end_src
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#+begin_src python :tangle read_attr_str_front.py
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@ -3985,13 +4014,9 @@ def read_$group_str$(trexio_file) -> str:
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- Exception from some other error (e.g. RuntimeError).
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"""
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try:
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rc, str_r = pytr.trexio_read_$group_str$(trexio_file.pytrexio_s, PYTREXIO_MAX_STR_LENGTH)
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if rc != TREXIO_SUCCESS:
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raise Error(rc)
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except:
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raise
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return str_r
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#+end_src
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@ -4010,17 +4035,11 @@ def has_$group_str$(trexio_file) -> bool:
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- Exception from some other error (e.g. RuntimeError).
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"""
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try:
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rc = pytr.trexio_has_$group_str$(trexio_file.pytrexio_s)
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if rc == TREXIO_FAILURE:
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raise Error(rc)
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except:
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raise
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if rc == TREXIO_SUCCESS:
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return True
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else:
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return False
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return rc == TREXIO_SUCCESS
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#+end_src
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** Templates for front end delete an entire group (UNSAFE MODE)
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