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nomad-lab
nomad-meta-info
Commits
de819523
Commit
de819523
authored
Jun 28, 2018
by
Mohamed, Fawzi Roberto (fawzi)
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initial renaming support
parent
5f4d35e2
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3
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3 changed files
with
254 additions
and
185 deletions
+254
-185
meta_info/nomad_meta_info2/public.nomadmetainfo.json
meta_info/nomad_meta_info2/public.nomadmetainfo.json
+124
-185
meta_info/renames/renamer.py
meta_info/renames/renamer.py
+88
-0
meta_info/renames/renames.txt
meta_info/renames/renames.txt
+42
-0
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meta_info/nomad_meta_info2/public.nomadmetainfo.json
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de819523
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meta_info/renames/renamer.py
0 → 100644
View file @
de819523
#!/bin/env python
import
os
import
tempfile
import
re
import
logging
from
io
import
open
from
io
import
StringIO
def
loadRenamesFile
(
renamesPath
):
"""Loads the content of a rename file"""
renamesRe
=
re
.
compile
(
r"\s*(?P<old>[a-zA-Z0-9_]+)\s*->\s*(?P<new>[a-zA-Z0-9_]+)\s*$"
)
renames
=
{}
with
open
(
renamesPath
,
encoding
=
'utf-8'
)
as
f
:
while
True
:
line
=
f
.
readline
()
if
not
line
:
break
m
=
renamesRe
.
match
(
line
)
if
m
:
renames
[
m
.
group
(
"old"
)]
=
m
.
group
(
"new"
)
elif
not
line
.
isspace
():
logging
.
warn
(
"Unexpected line %r in %s"
,
line
,
renamesPath
)
return
renames
def
renamesSearchRe
(
renames
):
"""creates a regular expression that matches the words that should be renamed"""
res
=
StringIO
()
res
.
write
(
r"\b("
)
first
=
True
for
k
in
renames
.
keys
():
if
not
first
:
res
.
write
(
"|"
)
else
:
first
=
False
res
.
write
(
k
)
res
.
write
(
r")\b"
)
renameReStr
=
res
.
getvalue
()
return
re
.
compile
(
renameReStr
)
def
replaceInFile
(
filePath
,
replacements
):
"""performs the replacements in the given file"""
renameRe
=
renamesSearchRe
(
replacements
)
outF
=
tempfile
.
NamedTemporaryFile
(
mode
=
"w"
,
suffix
=
''
,
prefix
=
'tmp'
,
dir
=
os
.
path
.
dirname
(
filePath
),
delete
=
False
,
encoding
=
'utf-8'
)
didReplace
=
{}
lineNr
=
0
with
outF
:
with
open
(
filePath
,
encoding
=
'utf-8'
)
as
inF
:
while
True
:
line
=
inF
.
readline
()
if
not
line
:
break
lineNr
+=
1
ii
=
0
for
m
in
renameRe
.
finditer
(
line
):
old
=
m
.
group
(
1
)
didReplace
[
old
]
=
didReplace
.
get
(
old
,
[])
+
[
lineNr
]
outF
.
write
(
line
[
ii
:
m
.
start
()])
outF
.
write
(
replacements
[
old
])
ii
=
m
.
end
()
outF
.
write
(
line
[
ii
:])
if
didReplace
:
bkPathBase
=
filePath
+
".bk"
bkPath
=
bkPathBase
# non atomic (should really create if not there)
ii
=
0
while
os
.
path
.
exists
(
bkPath
):
ii
+=
1
bkPath
=
bkPathBase
+
str
(
ii
)
os
.
rename
(
filePath
,
bkPath
)
os
.
rename
(
outF
.
name
,
filePath
)
print
(
"%r: {"
%
filePath
)
for
k
,
v
in
didReplace
.
items
():
print
(
k
,
'->'
,
replacements
[
k
],
":"
,
v
)
print
(
"}
\n
Backup in "
,
bkPath
)
if
__name__
==
"__main__"
:
import
sys
renamesPath
=
os
.
path
.
join
(
os
.
path
.
dirname
(
__file__
),
"renames.txt"
)
renames
=
loadRenamesFile
(
renamesPath
)
for
f
in
sys
.
argv
[
1
:]:
try
:
replaceInFile
(
f
,
renames
)
except
:
logging
.
exception
(
"handling file %s"
,
f
)
print
(
"DONE"
)
meta_info/renames/renames.txt
0 → 100644
View file @
de819523
XC_method -> xc_method
energy_type_van_der_Waals -> energy_type_van_der_waals
XC_functional_weight -> xc_functional_weight
XC_functional_parameters -> xc_functional_parameters
energy_van_der_Waals -> energy_van_der_waals
spin_S2_scf_iteration -> spin_s2_scf_iteration
energy_van_der_Waals_value -> energy_van_der_waals_value
energy_type_XC -> energy_type_xc
section_XC_functionals -> section_xc_functionals
energy_total_T0 -> energy_total_t0
settings_GW -> settings_gw
energy_T0_per_atom -> energy_t0_per_atom
XC_functional -> xc_functional
energy_hartree_fock_X_scaled -> energy_hartree_fock_x_scaled
energy_total_T0_per_atom_scf_iteration -> energy_total_t0_per_atom_scf_iteration
atom_forces_T0 -> atom_forces_t0
van_der_Waals_method -> van_der_waals_method
spin_S2 -> spin_s2
energy_XC_functional -> energy_xc_functional
energy_total_T0_scf_iteration -> energy_total_t0_scf_iteration
XC_functional_name -> xc_functional_name
energy_XC_scf_iteration -> energy_xc_scf_iteration
settings_van_der_Waals -> settings_van_der_waals
energy_C -> energy_c
energy_XC_potential -> energy_xc_potential
atom_forces_T0_raw -> atom_forces_t0_raw
section_energy_van_der_Waals -> section_energy_van_der_waals
XC_method_current -> xc_method_current
settings_Monte_Carlo -> settings_monte_carlo
energy_type_C -> energy_type_c
settings_XC -> settings_xc
energy_van_der_Waals_kind -> energy_van_der_waals_kind
SC_matrix -> sc_matrix
settings_MCSCF -> settings_mcscf
energy_X -> energy_x
energy_XC_potential_scf_iteration -> energy_xc_potential_scf_iteration
settings_XC_functional -> settings_xc_functional
energy_type_X -> energy_type_x
thermodynamical_property_heat_capacity_C_v -> thermodynamical_property_heat_capacity_c_v
energy_XC -> energy_xc
energy_total_T0_per_atom -> energy_total_t0_per_atom
energy_hartree_fock_X -> energy_hartree_fock_x
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