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Yusuf Hamied Department of Chemistry
Hunter Group
SSIPtools
SSIMPLEapps
solventmapcreator
Commits
014d38a6
Commit
014d38a6
authored
6 years ago
by
M.D. Driver
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update methods to get correct placement.
parent
965c68f9
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1 changed file
solventmapcreator/solvationcalculation/fgipmaker.py
+3
-11
3 additions, 11 deletions
solventmapcreator/solvationcalculation/fgipmaker.py
with
3 additions
and
11 deletions
solventmapcreator/solvationcalculation/fgipmaker.py
+
3
−
11
View file @
014d38a6
...
...
@@ -23,11 +23,8 @@ def create_fgip_from_map(map_filename):
"""
svg_figure
=
create_svgfigure
()
map_plot
=
get_svg_plot
(
map_filename
)
map_plot
.
moveto
(
0.0
,
150.0
,
scale
=
1.1
)
molecules_plot
=
get_molecules
()
map_plot
.
moveto
(
0.0
,
95.0
,
scale
=
1.25
)
append_svg_plots
(
svg_figure
,
map_plot
)
append_svg_plots
(
svg_figure
,
molecules_plot
)
output_filename
=
create_output_filename
(
map_filename
)
save_svg_figure
(
svg_figure
,
output_filename
)
...
...
@@ -46,11 +43,6 @@ def append_svg_plots(svg_figure, svg_plot):
"""
svg_figure
.
append
(
svg_plot
)
def
get_molecules
():
"""
This gets the molecules.
"""
return
get_svg_plot
(
FGIP_MOLECULES_FILENAME
)
def
get_svg_plot
(
svg_filename
):
"""
This gets the plot elements.
"""
...
...
@@ -58,7 +50,7 @@ def get_svg_plot(svg_filename):
return
figure
.
getroot
()
def
create_svgfigure
():
"""
This creates SVG figure
with default siz
e.
"""
This creates SVG figure
using the molecules as a bas
e.
"""
return
svgt
.
SVGFigure
(
width
=
"
725.05334pt
"
,
height
=
"
676.02484pt
"
)
return
svgt
.
fromfile
(
FGIP_MOLECULES_FILENAME
)
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