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Jan Zelenka
prasopes
Commits
d7531555
Commit
d7531555
authored
Sep 02, 2018
by
Yan
Browse files
Improved exporting procedure
* improved code readability
parent
95f1bff0
Changes
2
Hide whitespace changes
Inline
Side-by-side
prasopes/filetools.py
View file @
d7531555
...
...
@@ -8,7 +8,7 @@ def open_dial(d_set):
filename
=
QtWidgets
.
QFileDialog
.
getOpenFileName
(
caption
=
"Open spectrum"
,
filter
=
"Finnigan RAW files (*.raw, *.RAW)"
)[
0
]
if
filename
is
not
''
:
if
filename
is
not
''
:
d_set
[
'chrom_dat'
],
d_set
[
'masses'
],
d_set
[
'matrix'
]
\
=
load_raw
(
filename
)
return
filename
...
...
@@ -16,6 +16,28 @@ def open_dial(d_set):
return
None
def
get_save_filename
(
caption
,
fnfilter
,
suffix
,
parent
):
"""fix Qt5 "feature" - it does add sufix when exporting
and thus also cant check for file with the selected suffix"""
filename
=
QtWidgets
.
QFileDialog
.
getSaveFileName
(
caption
=
caption
,
filter
=
fnfilter
,
options
=
QtWidgets
.
QFileDialog
.
DontConfirmOverwrite
)[
0
]
if
suffix
[
0
]
is
not
"."
:
suffix
=
".{}"
.
format
(
suffix
)
if
filename
[
-
len
(
suffix
):]
!=
suffix
:
filename
=
""
.
join
((
filename
,
suffix
))
if
os
.
path
.
isfile
(
filename
):
quest
=
QtWidgets
.
QMessageBox
.
warning
(
parent
,
caption
,
"File {} already exists in the filesystem.
\n
"
"Do you want to overwrite it?"
.
format
(
os
.
path
.
basename
(
filename
)),
QtWidgets
.
QMessageBox
.
Yes
,
QtWidgets
.
QMessageBox
.
No
)
if
quest
==
QtWidgets
.
QMessageBox
.
No
:
filename
=
''
return
filename
def
export_dial
(
mass_spec
,
chrom_spec
,
fn
,
main_window
):
"""exports the chromatogram into the .dat file format"""
if
fn
[
0
]
is
None
:
...
...
@@ -23,21 +45,9 @@ def export_dial(mass_spec, chrom_spec, fn, main_window):
main_window
,
"Export spectrum"
,
"Nothing to export, cancelling request"
)
return
exp_f_name
=
QtWidgets
.
QFileDialog
.
getSaveFileName
(
caption
=
"Export spectrum"
,
filter
=
"dat table format (*.dat)"
)[
0
]
exp_f_name
=
get_save_filename
(
"Export spectrum"
,
"dat table (*.dat)"
,
"dat"
,
main_window
)
if
exp_f_name
is
not
''
:
# fix for Qt5 "Feature"
if
exp_f_name
[
-
4
:]
!=
'.dat'
:
exp_f_name
=
exp_f_name
+
".dat"
if
os
.
path
.
isfile
(
exp_f_name
):
quest
=
QtWidgets
.
QMessageBox
.
warning
(
main_window
,
"Export spectrum"
,
"{} already exists.
\n
Do you want to replace it?"
.
format
(
os
.
path
.
basename
(
exp_f_name
)),
QtWidgets
.
QMessageBox
.
Yes
,
QtWidgets
.
QMessageBox
.
No
)
if
(
hex
(
quest
))
==
"0x10000"
:
return
expf
=
open
(
exp_f_name
,
'w'
)
expf
.
write
(
"mass ion_count
\n
"
"m/z
\n
"
...
...
prasopes/zcetools.py
View file @
d7531555
import
numpy
as
np
import
prasopes.graphtools
as
gt
import
os.path
import
pkg_resources
from
matplotlib.backends.backend_qt5agg
import
FigureCanvasQTAgg
as
FigureCanvas
from
matplotlib.figure
import
Figure
from
PyQt5
import
QtCore
from
PyQt5
import
QtWidgets
import
numpy
as
np
import
prasopes.graphtools
as
gt
import
prasopes.filetools
as
ft
import
os.path
import
pkg_resources
def
pop_dial
(
zcespec
,
gradspect
,
data_set
,
widget
,
coff_d
,
grad_d
,
...
...
@@ -61,21 +62,9 @@ def exp_zce(zce_spec, zcegrad_spec, fn, parent):
parent
,
"Export ZCE spectrum"
,
"Nothing to export, cancelling request"
)
return
exp_f_name
=
QtWidgets
.
QFileDialog
.
getSaveFileName
(
caption
=
"Export ZCE spectrum"
,
filter
=
"dat table format (*.dat)"
)[
0
]
exp_f_name
=
ft
.
get_save_filename
(
"Export ZCE spectrum"
,
"dat table (*.dat)"
,
"dat"
,
parent
)
if
exp_f_name
is
not
''
:
# fix for Qt5 "Feature"
if
exp_f_name
[
-
4
:]
!=
'.dat'
:
exp_f_name
=
exp_f_name
+
".dat"
if
os
.
path
.
isfile
(
exp_f_name
):
quest
=
QtWidgets
.
QMessageBox
.
warning
(
parent
,
"Export spectrum"
,
"{} already exists.
\n
Do you want to replace it?"
.
format
(
os
.
path
.
basename
(
exp_f_name
)),
QtWidgets
.
QMessageBox
.
Yes
,
QtWidgets
.
QMessageBox
.
No
)
if
(
hex
(
quest
))
==
"0x10000"
:
return
expf
=
open
(
exp_f_name
,
'w'
)
expf
.
write
(
"mass ion_count ion_count_gradient fwhm_x fwhm_y
\n
"
"m/z
\n
"
...
...
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