def abort(Home, Source, winfil): if winfil ==0 : TopCmds.SET_SELECTED_WIN(Source) TopCmds.CLOSEWIN(TopCmds.CURDATA()) TopCmds.SET_SELECTED_WIN(Home) TopCmds.EXIT() if winfil ==1 : TopCmds.RE(Source) TopCmds.CLOSEWIN(TopCmds.CURDATA()) TopCmds.RE(Home) TopCmds.EXIT()
def MAS(Home, Source, winfil, unit, qt):
MAS = 0
if winfil == 0: TopCmds.SET_SELECTED_WIN(Source)
if winfil == 1: TopCmds.RE(Source, "n")
MAS0 = Get.MAS(unit)
if winfil == 0: TopCmds.SET_SELECTED_WIN(Home)
if winfil == 1: TopCmds.RE(Home, "n")
MAS1 = Get.MAS(unit)
if MAS1 != MAS0:
Put.MAS(MAS0, "")
MAS = 1
return MAS
def Phases(Phase):
pul.SetPar('PHC0', Phase[0], "")
pul.SetPar('PHC1', Phase[1], "")
#Reload so everything updates.
TopCmds.SLEEP(0.05)
TopCmds.RE(TopCmds.CURDATA())
TopCmds.SLEEP(0.05)
return
def NH2(Home, Source, winfil, unit, qt):
NH2 = 0
if winfil == 0: TopCmds.SET_SELECTED_WIN(Source)
if winfil == 1: TopCmds.RE(Source, "n")
CPcnct, aHcp, aXcp, SPH, SPX = Get.NH2(unit)
if winfil == 0: TopCmds.SET_SELECTED_WIN(Home)
if winfil == 1: TopCmds.RE(Home, "n")
CPcnct0, aHcp0, aXcp0, SPH0, SPX0 = Get.NH2(unit)
if CPcnct != CPcnct0 or aHcp != aHcp0 or aXcp != aXcp0 or SPH != SPH0 or SPX != SPX0:
Title = "UPDATE N-H CP (H-detect)"
Header = ""
Inputs=\
"Contact : "+str(CPcnct0)+" us ("+str(pul.pulDict['pNH2'])+")",\
"1H pwr : "+str(aHcp0)+" "+unit+" ("+str(pul.pulDict['aHnh2'])+")",\
"15N pwr : "+str(aXcp0)+" "+unit+" ("+str(pul.pulDict['aNnh2'])+")",\
"1H shape : "+str(SPH0)+" ("+str(pul.pulDict['sHnh2'])+")",\
"15N shape : "+str(SPX0)+" ("+str(pul.pulDict['sNnh2'])+")"
Values = str(CPcnct), str(aHcp), str(aXcp), str(SPH), str(SPX)
Comments = "us", unit, unit, "", ""
Types = "1", "1", "1", "1", "1"
Buttons = "Accept", "Cancel"
ShortCuts = 'a', 'c'
columns = 15
if qt == 0:
result = TopCmds.INPUT_DIALOG(Title, Header, Inputs, Values,
Comments, Types, Buttons, ShortCuts,
columns)
if result != None:
CPcnct, aHcp, aXcp, SPH, SPX = result
NH2 = 1
Put.NH2(CPcnct, aHcp, aXcp, SPH, SPX, unit)
else:
abort(Home, Source, winfil)
if qt != 0:
NH2 = 1
Put.NH2(CPcnct, aHcp, aXcp, SPH, SPX, unit)
return NH2
def NCO(Home, Source, winfil, unit, qt):
NC = 0
if winfil == 0: TopCmds.SET_SELECTED_WIN(Source)
if winfil == 1: TopCmds.RE(Source)
CPcnct, aH, aX, aY, SPX, SPY = Get.NCO(unit)
if winfil == 0: TopCmds.SET_SELECTED_WIN(Home)
if winfil == 1: TopCmds.RE(Home)
CPcnct0, aH0, aX0, aY0, SPX0, SPY0 = Get.NCO(unit)
if CPcnct != CPcnct0 or aH != aH0 or aX != aX0 or aY != aY0 or SP != SP0:
Title = "UPDATE N-CO CP"
Header = ""
Inputs=\
"Contact : "+str(CPcnct0)+" us ("+str(pul.pulDict['pNCO'])+")",\
"1H dec pwr : "+str(aH0)+" "+unit+" ("+str(pul.pulDict['aHnco'])+")",\
"13C pwr : "+str(aX0)+" "+unit+" ("+str(pul.pulDict['aCnco'])+")",\
"15N pwr : "+str(aY0)+" "+unit+" ("+str(pul.pulDict['aNnco'])+")",\
"13C shape : "+str(SP0)+" ("+str(pul.pulDict['sCnco'])+")"
"15N shape : " + str(SP0) + " (" + str(pul.pulDict['aNnco']) + ")"
Values = str(CPcnct), str(aH), str(aX), str(aY), str(SPX), str(SPY)
Comments = "us", unit, unit, unit, "", ""
Types = "1", "1", "1", "1", "1", "1"
Buttons = "Accept", "Cancel"
ShortCuts = 'a', 'c'
columns = 15
if qt == 0:
result = TopCmds.INPUT_DIALOG(Title, Header, Inputs, Values,
Comments, Types, Buttons, ShortCuts,
columns)
if result != None:
CPcnct, aH, aX, aY, SPX, SPY = result
NC = 1
Put.NCO(CPcnct, aH, aX, aY, SPX, SPY, unit)
else:
abort(Home, Source, winfil)
else:
NCA = 1
Put.NCO(CPcnct, aH, aX, aY, SPX, SPY, unit)
return NC
def Nhp(Home, Source, winfil, unit, qt):
Nhp = 0
if winfil == 0: TopCmds.SET_SELECTED_WIN(Source)
if winfil == 1: TopCmds.RE(Source, "n")
p90, pamp = Get.NPul(unit)
#TopCmds.MSG("From:\np90= "+str(p90)+"\npamp= "+str(pamp))
if winfil == 0: TopCmds.SET_SELECTED_WIN(Home)
if winfil == 1: TopCmds.RE(Home, "n")
p90_0, pamp0 = Get.NPul(unit)
#TopCmds.MSG("Home:\np90_0= "+str(p90_0)+"\npamp_0= "+str(pamp0))
if p90_0 != p90 or pamp != pamp0:
Title = "Nitrogen Hard Pulse Merger"
Header = ""
Inputs=\
"15N 90"+deg+" pulse : "+str(p90_0)+" us ("+str(pul.pulDict['pN90'])+")",\
"15N 90"+deg+" pwr : "+str(pamp0)+unit+" ("+str(pul.pulDict['aN'])+")"
Values = str(p90), str(pamp)
Comments = "us", unit
Types = "1", "1"
Buttons = "Accept", "Cancel"
ShortCuts = 'a', 'c'
columns = 5
if qt == 0:
result = TopCmds.INPUT_DIALOG(Title, Header, Inputs, Values,
Comments, Types, Buttons, ShortCuts,
columns)
if result != None:
p90, pamp = result
Nhp = 1
Put.NPul(p90, pamp, unit)
else:
abort(Home, Source, winfil)
if qt != 0:
Put.NPul(p90, pamp, unit)
Nhp = 1
return Nhp
def COs180(Home, Source, winfil, unit, qt):
done = 0
if winfil == 0: TopCmds.SET_SELECTED_WIN(Source)
if winfil == 1: TopCmds.RE(Source, "n")
PW, Amp, SP, Off = Get.CO_S180(unit)
if winfil == 0: TopCmds.SET_SELECTED_WIN(Home)
if winfil == 1: TopCmds.RE(Home, "n")
PW0, Amp0, SP0, Off0 = Get.CO_S180(unit)
if CPcnct != CPcnct0 or aHcp != aHcp0 or aXcp != aXcp0 or SPH != SPH0 or SPX != SPX0:
Title = "UPDATE CO soft 180 pulse"
Header = ""
Inputs=\
"Pulse : "+str(PW0)+" us ("+str(pul.pulDict['pCOr'])+")",\
"Ampl : "+str(Amp0)+" "+unit+" ("+str(pul.pulDict['aCOr'])+")",\
"Shape : "+str(SP0)+" ("+str(pul.pulDict['sCOr'])+")",\
"Offset : "+str(Off0)+" ("+str(pul.pulDict['oCOr'])+")"
Values = str(PW), str(Amp), str(SP), str(Off)
Comments = "us", unit, "", str(pul.pulDict['uoffs'])
Types = "1", "1", "1", "1"
Buttons = "Accept", "Cancel"
ShortCuts = 'a', 'c'
columns = 15
if qt == 0:
result = TopCmds.INPUT_DIALOG(Title, Header, Inputs, Values,
Comments, Types, Buttons, ShortCuts,
columns)
if result != None:
PW, Amp, SP, Off = result
done = 1
Put.CO_S18(PW, Amp, SP, Off, unit)
else:
abort(Home, Source, winfil)
if qt != 0:
done = 1
Put.CO_S180(PW, Amp, SP, Off, unit)
return done
def HDec(Home, Source, winfil, unit, qt):
HDec = 0
if winfil == 0: TopCmds.SET_SELECTED_WIN(Source)
if winfil == 1: TopCmds.RE(Source)
cpd, pwname, pw, pampname, pamp = Get.HDec(unit)
#TopCmds.MSG(cpd+pwname+str(pw)+pampname+str(pamp))
if winfil == 0: TopCmds.SET_SELECTED_WIN(Home)
if winfil == 1: TopCmds.RE(Home)
cpd0, pw0name, pw0, pamp0name, pamp0 = Get.HDec(unit)
#TopCmds.MSG(cpd0+pw0name+str(pw0)+pamp0name+str(pamp0))
if cpd0 != cpd or pamp != pamp0 or pw != pw0 or pwname != pw0name or pampname != pamp0name:
Title = "UPDATE Proton Decoupling parameters"
Header = "(pl12, pcpd2, cpdprg2 only)"
Inputs=\
"Compound pulse : "+str(cpd0),\
pwname+" : "+str(pw0)+" us ",\
pampname+" : "+str(pamp0)+unit
Values = str(cpd), str(pw), str(pamp)
Comments = "", "us", unit
Types = "1", "1", "1"
Buttons = "Accept", "Cancel"
ShortCuts = 'a', 'c'
columns = 15
if qt == 0:
result = TopCmds.INPUT_DIALOG(Title, Header, Inputs, Values,
Comments, Types, Buttons, ShortCuts,
columns)
if result != None:
cpd, pw, pamp = result
HDec = 1
Put.HDec(cpd, pwname, pw, pampname, pamp, unit)
else:
abort(Home, Source, winfil)
if qt != 0:
HDec = 1
Put.HDec(cpd, pwname, pw, pampname, pamp, unit)
return HDec
def HN(Home,Source,winfil,unit,qt): HN=0 if winfil ==0 :TopCmds.SET_SELECTED_WIN(Source) if winfil ==1 :TopCmds.RE(Source,"n") CPcnct, aHcp, aXcp, SPH, SPX = Get.HN(unit) if winfil ==0 :TopCmds.SET_SELECTED_WIN(Home) if winfil ==1 :TopCmds.RE(Home,"n") CPcnct0, aHcp0, aXcp0, SPH0, SPX0 = Get.HN(unit) if CPcnct!=CPcnct0 or aHcp!=aHcp0 or aXcp!=aXcp0 or SPH!=SPH0 or SPX!=SPX0 : Title="UPDATE H-N CP" Header="" Inputs=\ "Contact : "+CPcnct0+" us ",\ "1H pwr : "+aHcp0+" "+unit,\ "13C pwr : "+aXcp0+" "+unit,\ "1H shape : "+SPH0,\ "13C shape : "+SPX0 Values=CPcnct,aHcp,aXcp,SPH,SPX Comments="us",unit,unit,"","" Types="1","1","1","1","1" Buttons="Accept","Cancel" ShortCuts='a','c' columns=15 if qt==0: result=TopCmds.INPUT_DIALOG(Title,Header,Inputs,Values,Comments,Types,Buttons,ShortCuts,columns) if result != None: CPcnct, aHcp, aXcp, SPH, SPX = result HN=1 Put.HN(CPcnct, aHcp, aXcp, SPH, SPX, unit) else: abort(Home,Source,winfil) else: HN=1 Put.HN(CPcnct, aHcp, aXcp, SPH, SPX, unit) return HN
def NCO(Home,Source,winfil,unit,qt): NCO=0 if winfil ==0 :TopCmds.SET_SELECTED_WIN(Source) if winfil ==1 :TopCmds.RE(Source) CPcnct, aH, aX, aY, SP = Get.NCO(unit) if winfil ==0 :TopCmds.SET_SELECTED_WIN(Home) if winfil ==1 :TopCmds.RE(Home) CPcnct0, aH0, aX0, aY0, SP0 = Get.NCO(unit) if CPcnct!=CPcnct0 or aH!=aH0 or aX!=aX0 or aY != aY0 or SP!=SP0 : Title="UPDATE N-CO CP" Header="" Inputs=\ "Contact : "+CPcnct0+" us ",\ "1H dec pwr : "+aH0+" "+unit,\ "13C pwr : "+aX0+" "+unit,\ "15N pwr : "+aY0+" "+unit,\ "13C shape : "+SP0 Values=CPcnct,aH,aX,aY,SP Comments="us",unit,unit,unit,"" Types="1","1","1","1","1" Buttons="Accept","Cancel" ShortCuts='a','c' columns=15 if qt==0: result=TopCmds.INPUT_DIALOG(Title,Header,Inputs,Values,Comments,Types,Buttons,ShortCuts,columns) if result != None: CPcnct, aH, aX, aY, SP = result NCO=1 Put.NCO(CPcnct, aH, aX, aY, SP, unit) else: abort(Home,Source,winfil) else: NCO=1 Put.NCO(CPcnct, aH, aX, aY, SP, unit) return NCO
def Phases(Home, Source, winfil, unit, qt):
Phases = 0
if winfil == 0: TopCmds.SET_SELECTED_WIN(Source)
if winfil == 1: TopCmds.RE(Source)
Phase = Get.Phases()
if winfil == 0: TopCmds.SET_SELECTED_WIN(Home)
if winfil == 1: TopCmds.RE(Home)
Phase0 = Get.Phases()
if Phase != Phase0:
Title = "UPDATE Phaseing"
Header = ""
Inputs=\
"PH0 : "+str(Phase0[0])+deg,\
"PH1 : "+str(Phase0[1])+deg
Values = str(Phase[0]), str(Phase[1])
Comments = deg, deg
Types = "1", "1"
Buttons = "Accept", "Cancel"
ShortCuts = 'a', 'c'
columns = 8
if qt == 0:
result = TopCmds.INPUT_DIALOG(Title, Header, Inputs, Values,
Comments, Types, Buttons, ShortCuts,
columns)
if result != None:
Phase = result
Put.Phases(Phase)
Phases = 1
else:
abort(Home, Source, winfil)
if qt != 0:
Phases = 1
Put.Phases(Phase)
return Phases
def NH(Home,Source,winfil,unit,qt): NH=0 if winfil ==0 :TopCmds.SET_SELECTED_WIN(Source) if winfil ==1 :TopCmds.RE(Source) cnct, aH, aX, SP = Get.NH(unit) if winfil ==0 :TopCmds.SET_SELECTED_WIN(Home) if winfil ==1 :TopCmds.RE(Home) cnct0, aH0, aX0, SP0 = Get.NH(unit) if cnct!=cnct0 or aH!=aH0 or aX!=aX0 or SP!=SP0 : Title="UPDATE N->H CP for XhhC experiments" Header="" Inputs=\ "Contact : "+cnct0+" us ",\ "1H pwr : "+aH0+" "+unit,\ "15N pwr : "+aX0+" "+unit,\ "15N shape : "+SP0 Values=cnct,aH,aX,SP Comments="us",unit,unit,"" Types="1","1","1","1" Buttons="Accept","Cancel" ShortCuts='a','c' columns=15 if qt==0: result=TopCmds.INPUT_DIALOG(Title,Header,Inputs,Values,Comments,Types,Buttons,ShortCuts,columns) if result != None: CPcnct, aH, aX, SP = result NH=1 Put.NH(cnct, aH, aX, SP, unit) else: abort(Home,Source,winfil) else: NH=1 Put.NH(cnct, aH, aX, SP, unit) return NH
def Nhp(Home,Source,winfil,unit,qt): Nhp=0 if winfil ==0 :TopCmds.SET_SELECTED_WIN(Source) if winfil ==1 :TopCmds.RE(Source,"n") p90, pamp = Get.NPul(unit) if winfil ==0 :TopCmds.SET_SELECTED_WIN(Home) if winfil ==1 :TopCmds.RE(Home,"n") p90_0, pamp0 = Get.NPul(unit) if p90_0 != p90 or pamp != pamp0: Title="Nitrogen Hard Pulse Merger" Header="" Inputs=\ "15N 90"+deg+" pulse : "+p90_0+" us ",\ "15N 90"+deg+" pwr : "+pamp0+unit Values=p90,pamp Comments="us",unit Types="1","1" Buttons="Accept","Cancel" ShortCuts='a','c' columns=5 if qt==0: result=TopCmds.INPUT_DIALOG(Title,Header,Inputs,Values,Comments,Types,Buttons,ShortCuts,columns) if result != None: p90, pamp = result Nhp=1 Put.NPul(p90, pamp, unit) else: abort(Home,Source,winfil) else: Put.NPul(p90, pamp, unit) Nhp=1 return Nhp
def CX(Home, Source, winfil, unit, qt):
CX = 0
if winfil == 0: TopCmds.SET_SELECTED_WIN(Source)
if winfil == 1: TopCmds.RE(Source)
p90, pamp = Get.CX(unit)
if winfil == 0: TopCmds.SET_SELECTED_WIN(Home)
if winfil == 1: TopCmds.RE(Home)
p90_0, pamp0 = Get.CX(unit)
if p90_0 != p90 or pamp != pamp0:
Title = "Carbon DARR/PDSD/NOE Merger"
Header = ""
Inputs=\
"Spin Diffusion Mixing Time : "+str(p90_0)+" s ("+str(pul.pulDict['dDarr'])+")",\
"1H field during mixing : "+str(pamp0)+unit+" ("+str(pul.pulDict['aHdarr'])+")"
Values = str(p90), str(pamp)
Comments = "s", unit
Types = "1", "1"
Buttons = "Accept", "Cancel"
ShortCuts = 'a', 'c'
columns = 5
if qt == 0:
result = TopCmds.INPUT_DIALOG(Title, Header, Inputs, Values,
Comments, Types, Buttons, ShortCuts,
columns)
if result != None:
p90, pamp = result
CX = 1
Put.CX(p90, pamp, unit)
else:
abort(Home, Source, winfil)
if qt != 0:
CX = 1
Put.CX(p90, pamp, unit)
return CX
def load_templt(templt, expname, stan_dir):
"""
Load Topspin parameter set from stand_dir and creates a new dataset.
Args:
templt: Name of topspin parameter set
expname: Name of the new dataset
stand_dir: Directory from where Topspin stores new data set
"""
try:
TC.NEWDATASET([expname, '1', '1', stan_dir])
TC.RE([expname, '1', '1', stan_dir], 'y')
TC.XCMD('rpar %s all' % templt)
except:
TC.MSG(
'''You need to define the parameter set "%s" defining the correct
routing to continue.
First define the correct routing using edasp.
Then save the parmeterset using:
wpar %s all
''' % (templt, templt))
TC.EXIT()
