PTEROSOR/QUESTDB_website
10
0
Fork 0
mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-07-22 18:57:38 +02:00
Code Releases Activity

Merge branch 'master' into QUEST5

Browse Source
This commit is contained in:
Mickaël Véril 2020-08-03 17:25:02 +02:00
commit e99a42ec67
4 changed files with 10 additions and 19 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
tools/lib/formats/default/columnHandler.py
View File

@ -24,7 +24,7 @@ class columnHandler(formatHandlerBase):
if dt in datacls:
data=datacls[dt]
else:
cl=datafileSelector[dt]
cl=datafileSelector(dt)
data=cl()
data.molecule=mymolecule
data.method=mymethod

12
tools/lib/formats/default/doubleColumnHandler.py
View File

@ -1,7 +1,7 @@
from ..formatHandlerBase import formatHandlerBase
from ..formatName import formatName
from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,AbsDataFile,getSubtablesRange,state
from ...LaTeX import newCommand
from ...LaTeX import newCommand,extractMath
import re
from TexSoup import TexSoup
import numpy as np
@ -19,13 +19,9 @@ class doubleColumnHandler(formatHandlerBase):
for rangeTrans in subtablestrans:
mytrans=moltable[rangeTrans,:]
mytransdesc=mytrans[0:2,1]
for i in range(2):
try:
mathsoup=TexSoup(mytransdesc[i])
except:
print(f"Error when parsing latex state: {str(mytransdesc[i])}")
exit(-1)
newCommand.runAll(mathsoup,self.commands)
for i in range(2):
mathsoup=extractMath(mytransdesc[i],Soup=True,commands=self.commands)
mytransdesc[i]=str(mathsoup)
for colindex in range(3,np.size(table,1)):
col=mytrans[:,colindex]

11
tools/lib/formats/default/doubleTBEHandler.py
View File

@ -2,7 +2,7 @@ from ..formatHandlerBase import formatHandlerBase
from ..formatName import formatName
from ...data import dataFileBase,DataType,method,excitationValue,datafileSelector,getSubtablesRange,AbsDataFile,state
from ...utils import getValFromCell, checkFloat
from ...LaTeX import newCommand
from ...LaTeX import newCommand,extractMath
from TexSoup import TexSoup
import re
@formatName("doubleTBE")
@ -12,15 +12,10 @@ class doubleTBEHandler(formatHandlerBase):
subtablesMol=getSubtablesRange(table)
for rangeMol in subtablesMol:
data=AbsDataFile()
data.molecule=str(table[rangeMol,0])
data.molecule=str(table[rangeMol[0],0])
data.method=method("TBE","CBS")
for mytrans in table[rangeMol]:
try:
mathsoup=TexSoup(mytrans[1])
except:
print(f"Error when parsing latex state: {str(mytransdesc[i])}")
exit(-1)
newCommand.runAll(mathsoup,self.commands)
mathsoup=extractMath(mytrans[1],Soup=True,commands=self.commands)
mytransdesc=str(mathsoup)
infin=mytransdesc.split(r"\rightarrow")
for i,item in enumerate(infin):

4
tools/lib/formats/default/exoticColumnHandler.py
View File

@ -33,7 +33,7 @@ class exoticColumnHandler(formatHandlerBase):
methodname=str(methtex)
mymethod=method(methodname,basis)
methkey=json.dumps(mymethod.__dict__)
finsts=dataFileBase.convertState(table[myrange,1],initialState,default=self.TexOps.default,commands=self.commands)
finsts=dataFileBase.convertState(table[myrange,1],initialState,default=self.TexOps.defaultType,commands=self.commands)
for index,cell in enumerate(col[myrange]):
if str(cell)!="":
val,unsafe=getValFromCell(cell)
@ -57,7 +57,7 @@ class exoticColumnHandler(formatHandlerBase):
#data.excitations.append(excitationValue(initialState,finst[0],val,type=finst[2]))
for dt,methdic in valDic.items():
for methstring,exdic in methdic.items():
data=datafileSelector[dt]()
data=datafileSelector(dt)()
data.molecule=mymolecule
methdic=json.loads(methstring)
data.method=method(methdic["name"],methdic["basis"])