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mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-25 13:53:48 +01:00

Merge branch 'master' into ADC

This commit is contained in:
Mickaël Véril 2020-09-15 12:52:30 +02:00
commit 03577a4636
2 changed files with 32 additions and 19 deletions

View File

@ -2,7 +2,7 @@
import os import os
import re import re
import sys import sys
import copy from copy import deepcopy
from statistics import mean from statistics import mean
from math import nan,isnan from math import nan,isnan
from pathlib import Path from pathlib import Path
@ -35,31 +35,43 @@ if args.articles is not None or args.sets is not None:
articles.add(article) articles.add(article)
outputdir=datadir/"test" if args.debug else datadir outputdir=datadir/"test" if args.debug else datadir
ADC23re=re.compile(r"ADC\(([23])\)") ADC23re=re.compile(r"ADC\(([23])\)")
def getValue(ADC2,ADC3,parametername): def getValue(ADC2,ADC3,parametername,exADC2=None,exADC3=None):
vals = [getattr(x,parametername) for x in [ADC2,ADC3]] def isObject(x):
isObject=hasattr(vals[0], '__dict__') return hasattr(x, '__dict__')
if isObject: def extractVals(x):
if vars(vals[0]) == vars(vals[1]): if isObject(x):
return copy.deepcopy(vals[0]) return vars(x)
else: else:
if vals[0] == vals[1]: return x
return vals[0] def copy(x):
if isObject(x):
return deepcopy(x)
else:
return x
def isSame(a,b):
return extractVals(a)==extractVals(b)
objs=[ADC2,ADC3]
exs=[exADC2,exADC3]
if all([x!=None for x in exs]):
objs=exs
vals = [getattr(x,parametername) for x in objs]
if isSame(*vals):
return copy(vals[0])
d=OrderedDict() d=OrderedDict()
for i in range(2): for i in range(2):
key=f"ADC({i+2})" key=f"ADC({i+2})"
if isObject: d[key]=copy(vals[i])
d[key]=copy.deepcopy(vals[i])
else:
d[key]=vals[i]
index=-1 index=-1
while len(vals)<index or index<0: while len(vals)<index or index<0:
if index==0: if index==0:
raise ValueError() raise ValueError("Operation canceled with ADC {ADC2File.moleucle},{ADC2File.method.basis} with {parametername}")
print("The Two values are different") print("The Two values are different")
i=0 i=0
for k in d: for k in d:
i+=1 i+=1
print(f"{i}){k} value: {vars(d[k]) if isObject else d[k]}") print(f"{i}){k} value: {extractVals(d[k])}")
index=int(input("Select value from the menu:")) index=int(input("Select value from the menu:"))
return vals[index-1] return vals[index-1]
@ -97,9 +109,9 @@ for t in DataType:
f = "_" f = "_"
isUnsafe = exADC2.isUnsafe or exADC3.isUnsafe isUnsafe = exADC2.isUnsafe or exADC3.isUnsafe
Type=getValue(exADC2,exADC3,"type") Type=getValue(exADC2,exADC3,"type")
exADC25=excitationValue(copy.deepcopy(exADC2.initial),copy.deepcopy(exADC2.final),value,Type,T1,isUnsafe,f) exADC25=excitationValue(deepcopy(exADC2.initial),deepcopy(exADC2.final),value,Type,T1,isUnsafe,f)
ADC25File.excitations.append(exADC25) ADC25File.excitations.append(exADC25)
ADC25File.toFile(outputdir) ADC25File.toFile(outputdir)
except ValueError as ex: except ValueError as ex:
pass print(ex,file=sys.stderr)

View File

@ -6,6 +6,7 @@ from TexSoup import TexNode,TexEnv
from enum import IntEnum,auto,unique,IntFlag from enum import IntEnum,auto,unique,IntFlag
from .formats import getFormatHandlers from .formats import getFormatHandlers
import re import re
import os
import numpy as np import numpy as np
import json import json
@ -172,7 +173,7 @@ class dataFileBase(object):
def toFile(self,datadir,suffix=None): def toFile(self,datadir,suffix=None):
subpath=datadir/self.GetFileType().name.lower() subpath=datadir/self.GetFileType().name.lower()
if not subpath.exists(): if not subpath.exists():
subpath.mkdir() os.makedirs(str(subpath))
molsoup=TexSoup(self.molecule) molsoup=TexSoup(self.molecule)
molcomp=list(molsoup.contents)[0] molcomp=list(molsoup.contents)[0]
molfilename=self.molecule if isinstance(molcomp,str) else molcomp.args[0].value molfilename=self.molecule if isinstance(molcomp,str) else molcomp.args[0].value