def DREAM():
oldCDREAM=float(TopCmds.GETPAR("PLdB 22"))
RAMP=TopCmds.GETPAR("SPNAM5")
#AvgAmpOld=IntShape.Integrate(RAMP)/100.
index = TopCmds.INPUT_DIALOG("DREAM MAS", "DREAM changes for MAS change", \
["Old MAS rate","New MAS rate","Old 13C power","Mixing time (p20)","Ramp Name"],\
[str(MASR),str(MAS),str(ampC5),str(LoopC5),RAMP],\
["kHz","kHz","dB",""],\
["1","1","1","1"],\
["Accept","Close"], ['a','c'], 10)
OldMAS=float(index[0])
NewMAS=float(index[1])
olddB=float(index[2])
newmix=float(index[3])
RAMP =index[4]
#AvgAmpNew=IntShape.Integrate(RAMP)/100.
adjust=20*(math.log10(NewMAS/OldMAS))
newdB = olddB-adjust
adjust=20*(math.log10(AvgAmpNew/AvgAmpOld)) #in case there is a Ramp change
newdB = newdB-adjust
TopCmds.PUTPAR("PLdB 22",str('%3.2f' %newdB))
TopCmds.PUTPAR("P 20",str('%3.2f' %newmix))
TopCmds.PUTPAR("SPNAM5",RAMP)
def GetPar(parName, unit):
Thing = ""
Thing = 1.
# "has_key" is needed for Python 2.1
#if parName in pulDict:
#pver=sys.version_info
#TopCmds.MSG(str(pver))
if pulDict.has_key(parName):
TopSpinName = pulDict[parName]
else:
TopSpinName = parName
j = TopSpinName.find(" ")
if TopSpinName.find("NAM") >= 0 or TopSpinName.find("PRG") >= 0:
Thing = TopCmds.GETPAR(TopSpinName)
elif TopSpinName.find("Unused") >= 0:
Thing = "Unused"
else:
Thing = float(TopCmds.GETPAR(TopSpinName))
return Thing
def CalS7purge():
p90C=float(TopCmds.GETPAR("P 1"))
ampC=float(TopCmds.GETPAR("PLdB 1"))
MaxB1 = 1000000./4./p90C
p90sC=float(TopCmds.GETPAR("P 7"))
SPname=(TopCmds.GETPAR("SPNAM7"))
if p90sC == 0: p90sC = 1500000./MAS
SP=SPname
if SP == "gauss" : SP = "3pi2SINC.wtf"
offs = float(TopCmds.GETPAR("SPOFFS 7"))
index = TopCmds.INPUT_DIALOG("ON-resonance 90 purge", "S7 soft 90", \
["Duration","Offset","Pulse Name (3pi/2 Sinc)"],\
[str(p90sC),str(offs),SP],\
["us","Hz",""],\
["1","1","1"],\
["Accept","Close"], ['a','c'], 10)
p90sC=float(index[0])
offs=float(index[1])
SP=index[2]
AvgAmp=IntShape.Integrate(SP)/100.
adjust=20*math.log10(p90C/p90sC/AvgAmp)
Power=ampC-adjust
TopCmds.PUTPAR("PLdB 27",str('%3.2f' %Power))
TopCmds.PUTPAR("SPNAM7",SP)
TopCmds.PUTPAR("SPOFFS 7",str('%8.2f' %offs))
TopCmds.PUTPAR("P 7",str('%3.2f' %p90sC))
def GetPar(parName, unit):
Thing = ""
Thing = 1.
if pulDict.has_key(parName):
# "has_key" is needed for Python 2.0
#if parName in pulDict:
TopSpinName = pulDict[parName]
else:
TopSpinName = parName
if TopSpinName.find("NAM") >= 0 or TopSpinName.find("PRG") >= 0:
TopSpinName = TopSpinName.replace(" ", "")
Thing = TopCmds.GETPAR(TopSpinName)
elif TopSpinName.find("Unused") >=0 or TopSpinName.find("Zero") >=0 or\
TopSpinName.find("Hz") >=0 or TopSpinName.find("ppm") >=0 or\
TopSpinName.find("Carrier")>=0 :
Thing = TopSpinName
else:
Thing = float(TopCmds.GETPAR(TopSpinName))
return Thing
def HDec(Unit):
CPD = "None"
CPD = TopCmds.GETPAR2("CPDPRG 2")
if CPD == "" or CPD == "None":
PWname = "PCPD 2"
PLname = "PL" + Unit + " 12"
PW = "5.0"
if Unit == "dB": PL = "1000."
if Unit == "W": PL = "0.0"
else:
PLname, PWname = CPDtools.CPDparse(CPD, "1H")
PLname = Format(PLname, Unit)
PWname = Format(PWname, "")
if PWname == "PCPD":
PWname = "PCPD 2"
PW = TopCmds.GETPAR(PWname)
PL = TopCmds.GETPAR(PLname)
#TopCmds.MSG(PWname+" "+PLname+" "+str(PW)+" "+str(PL))
return CPD, PWname, PW, PLname, PL
def NCO(Unit):
CNCT = TopCmds.GETPAR("P 17")
plH = TopCmds.GETPAR("PL" + Unit + " 34")
plN = TopCmds.GETPAR("PL" + Unit + " 6")
plC = TopCmds.GETPAR("SP" + Unit + " 51")
SP = TopCmds.GETPAR2("SPNAM 51")
return CNCT, plH, plC, plN, SP
def NCA(Unit):
CNCT = TopCmds.GETPAR("P 16")
plH = TopCmds.GETPAR("PL" + Unit + " 33")
plC = TopCmds.GETPAR("SP" + Unit + " 50")
plN = TopCmds.GETPAR("PL" + Unit + " 5")
SP = TopCmds.GETPAR2("SPNAM 50")
#TopCmds.MSG("CNCT: "+CNCT+"\n plH: "+plH+"\n plN: "+plN+"\n plC: "+plC+"\n SP: "+SP)
return CNCT, plH, plC, plN, SP
def CalSPC5_3():
p90C = float(TopCmds.GETPAR("P 1"))
ampC = float(TopCmds.GETPAR("PLdB 1"))
MaxB1 = 1000000. / 4. / p90C
C5B1 = 10.0 * MAS / 3.0
adjust = 20 * (math.log10(C5B1 / MaxB1))
condition = ampC - adjust
TopCmds.PUTPAR("PLdB 15", str('%3.2f' % condition))
TopCmds.PUTPAR("L 5", str(10))
def CalC72():
p90C = float(TopCmds.GETPAR("P 1"))
ampC = float(TopCmds.GETPAR("PLdB 1"))
MaxB1 = 1000000. / 4. / p90C
C7B1 = 7.0 * MAS
adjust = 20 * (math.log10(C7B1 / MaxB1))
Condition = ampC - adjust
TopCmds.PUTPAR("PLdB 17", str('%3.2f' % Condition))
TopCmds.PUTPAR("L 7", str(14))
def HDec(units):
Stuff = []
p90H = float(TopCmds.GETPAR("P 3"))
ampH = float(TopCmds.GETPAR("PLdB 2"))
MaxB1H = 1000000. / 4. / p90H
CPD = TopCmds.GETPAR2("CPDPRG 2")
if CPD == "mlev" or CPD == "None":
TopCmds.XCMD("cpdprg2")
CPD = (TopCmds.GETPAR2("CPDPRG 2"))
Stuff = CPDtools.CPDparse(CPD, "1H")
#TopCmds.MSG(str(Stuff))
amp0 = CPDtools.Find_old_pl(Stuff[0])
decpw0 = CPDtools.Find_old_pw(Stuff[1], "1H")
B1_0 = MaxB1H * (math.pow(10, (ampH - amp0) / 20.)) / 1000.
if B1_0 > 1.: B1out = '% .1f' % B1_0
if B1_0 <= 1.: B1out = '75.0'
index = TopCmds.INPUT_DIALOG("Mr Setup Input", "Decoupling Window", \
["Desired 1H Decoupling Amplitude","File"],\
[B1out,CPD],["kHz",""],["1","1",],\
["Accept","Close"], ['a','c'], 10)
TopCmds.PUTPAR("CPDPRG 2", index[1])
#print(index[0], MaxB1H)
adjust = 20 * (math.log10(1000. * float(index[0]) / MaxB1H))
Hamp = ampH - adjust
decpwH = (MaxB1H / 1000. / float(index[0])) * (170. / 180.) * 2 * p90H
if units == "W":
Hamp = dBtoW(Hamp)
value = TopCmds.SELECT("Adjusting the H decoupling parameters:",\
"This will set\n 1H power ("+ Stuff[0] +") to: "+ str('%.2f' %Hamp)+" "+ units+"\n \
Pulse width (" + Stuff[1] +") to: " +str('%3.2f' %decpwH) + units,["Update", "Keep Previous"])
if value != 1:
if Stuff[0] == 'pl12':
TopCmds.PUTPAR("PL" + units + " 12", str('%3.2f' % Hamp))
elif Stuff[0] == 'pl13':
TopCmds.PUTPAR("PL" + units + " 13", str('%3.2f' % Hamp))
elif Stuff[0] == 'pl14':
TopCmds.PUTPAR("PL" + units + " 14", str('%3.2f' % Hamp))
if Stuff[1] == 'pcpd':
TopCmds.PUTPAR("PCPD 2", str('%3.2f' % decpwH))
elif Stuff[1] == 'p31':
TopCmds.PUTPAR("P 31", str('%3.2f' % decpwH))
TopCmds.PUTPAR("P 30", str('%3.2f' % decpwH))
elif Stuff[1] == 'p62':
TopCmds.PUTPAR("P 61", str('%3.2f' % decpwH))
TopCmds.PUTPAR("P 62", str('%3.2f' % decpwH))
def NH(Unit):
CNCT = TopCmds.GETPAR("P 46")
plH = TopCmds.GETPAR("SP" + Unit + " 46")
plN = TopCmds.GETPAR("PL" + Unit + " 47")
SP = "None"
SP = TopCmds.GETPAR2("SPNAM 46")
if SP == "" or SP == "None":
SP = "None"
return CNCT, plH, plN, SP
def hhC(Unit):
CNCT = TopCmds.GETPAR("P 44")
plH = TopCmds.GETPAR("PL" + Unit + " 44")
plC = TopCmds.GETPAR("PL" + Unit + " 45")
SP = "None"
SP = TopCmds.GETPAR2("SPNAM 44")
if SP == "" or SP == "None":
SP = "None"
return CNCT, plH, plC, SP
def HC(Unit):
CNCT = TopCmds.GETPAR("P 15")
#plC=TopCmds.GETPAR("PL"+Unit+" 40")
#plH=TopCmds.GETPAR("PL"+Unit+" 41")
plC = TopCmds.GETPAR("SP" + Unit + " 40")
plH = TopCmds.GETPAR("SP" + Unit + " 41")
SPC = TopCmds.GETPAR2("SPNAM 40")
SPH = TopCmds.GETPAR2("SPNAM 41")
#TopCmds.MSG("CNCT: "+CNCT+"\n plH: "+plH+"\n plC: "+plC+"\n SPH: "+SPH+"\n SPC: "+SPC)
return CNCT, plH, plC, SPH, SPC
def CH(Unit):
CNCT = TopCmds.GETPAR("P 48")
plH = TopCmds.GETPAR("SP" + Unit + " 48")
plC = TopCmds.GETPAR("PL" + Unit + " 49")
SP = "None"
SP = TopCmds.GETPAR2("SPNAM 48")
if SP == "" or SP == "None":
SP = "None"
return CNCT, plH, plC, SP
def S6purge():
p90C=float(TopCmds.GETPAR("P 1"))
ampC=float(TopCmds.GETPAR("PLdB 1"))
MAS =float(TopCmds.GETPAR("CNST 31"))
MaxB1 = 1000000./4./p90C
p90sC=float(TopCmds.GETPAR("P 6"))
SPname=(TopCmds.GETPAR2("SPNAM 6"))
if p90sC == 0: p90sC = 1500000./MAS
SP=SPname
#Check for existence and default
if SP == "gauss" or SP == "None" :
#TopCmds.MSG("Please set spnam6")
TopCmds.XCMD("spnam6")
SP=(TopCmds.GETPAR2("SPNAM 6"))
offs = float(TopCmds.GETPAR("SPOFFS 6"))
ppm=CFrq.offs2ppm(offs)
if ppm > 140.0 : ppm=55.0
if ppm < -10.0 : ppm=55.0
index = TopCmds.INPUT_DIALOG("CA 90 purge", "S6 soft 90", \
["Duration","Offset","Pulse Name (3pi/2 Sinc)"],\
[str('%3.2f' %p90sC),str('%3.2f' %ppm),SP],\
["us","ppm",""],\
["1","1","1"],\
["Accept","Close"], ['a','c'], 10)
p90sC=float(index[0])
ppm=float(index[1])
SP=index[2]
offs=CFrq.ppm2offs(ppm)
AvgAmp=IntShape.Integrate(SP)/100.
adjust=20*math.log10(p90C/p90sC/AvgAmp)
Power=ampC-adjust
PowerW=pwr.dBtoW(Power)
confirm = TopCmds.SELECT("Adjusting the S6 purge pulse:",\
"This will set\n \
13C amp (pl26) to :" + str('%3.2f' %PowerW)+ " W\n \
Pulse offset to :" + str('%8.0f' %offs) + " Hz\n \
Equivalent to :" + str('%3.1f' %ppm ) + " ppm\n \
p6 to :" + str('%6.1f' %p90sC)+ " us\n "\
,["Update", "Keep Previous"])
if confirm != 1:
TopCmds.PUTPAR("PLdB 26",str('%3.2f' %Power))
TopCmds.PUTPAR("SPNAM 6",SP)
TopCmds.PUTPAR("SPOFFS 6",str('%8.2f' %offs))
TopCmds.PUTPAR("P 6",str('%3.2f' %p90sC))
def HN(Unit):
CNCT = TopCmds.GETPAR("P 25")
#plN=TopCmds.GETPAR("PL"+Unit+" 42")
#plH=TopCmds.GETPAR("PL"+Unit+" 43")
plH = TopCmds.GETPAR("SP" + Unit + " 42")
plN = TopCmds.GETPAR("SP" + Unit + " 43")
#TopCmds.MSG(TopCmds.GETPAR2("SPNAM 42"))
SPN = TopCmds.GETPAR2("SPNAM 42")
#TopCmds.MSG(TopCmds.GETPAR2("SPNAM 43"))
SPH = TopCmds.GETPAR2("SPNAM 43")
#TopCmds.MSG("CNCT: "+CNCT+"\n plH: "+plH+"\n plN: "+plN+"\n SPH: "+SPH+"\n SPN: "+SPN)
return CNCT, plH, plN, SPH, SPN
def SPC5_3(units):
p90C = float(TopCmds.GETPAR("P 1"))
ampC = float(TopCmds.GETPAR("PLdB 1"))
MaxB1 = 1000000. / 4. / p90C
C5B1 = 10.0 * MAS / 3.0
adjust = 20 * (math.log10(C5B1 / MaxB1))
Condition = ampC - adjust
if units == "W":
Condition = dBtoW(Condition)
TopCmds.PUTPAR("PL" + units + " 15", str('%3.2f' % Condition))
TopCmds.PUTPAR("L 5", str(10))
def C72(units):
p90C = float(TopCmds.GETPAR("P 1"))
ampC = float(TopCmds.GETPAR("PLdB 1"))
MaxB1 = 1000000. / 4. / p90C
C7B1 = 7.0 * MAS
adjust = 20 * (math.log10(C7B1 / MaxB1))
Condition = ampC - adjust
if units == "W":
Condition = dBtoW(Condition)
TopCmds.PUTPAR("PL" + units + " 17", str('%3.2f' % Condition))
TopCmds.PUTPAR("L 7", str(14))
class O4:
OFFS=float(TopCmds.GETPAR("O4"))
BF=float(TopCmds.GETPAR("BF4"))
ref=float(TopCmds.GETPAR("SR"))
RF=BF*1000000.
RO=OFFS-ref
def ppm2offs(self,ppm):
frq=(O4.RF*ppm/1000000.)- O4.RO
return frq
def offs2ppm(self,frq):
ppm=(1000000./O4.RF)*(frq+O4.RO)
return ppm
def GetPar(parName, unit):
Thing = ""
Thing = 1.
if parName in pulDict:
TopSpinName = pulDict[parName]
else:
TopSpinName = parName
if TopSpinName.find("NAM") >= 0 or TopSpinName.find("PRG") >= 0:
Thing = TopCmds.GETPAR(TopSpinName)
else:
Thing = float(TopCmds.GETPAR(TopSpinName))
return Thing
def GetPar(parName, unit):
Thing = ""
Thing = 1.
if parName in pulDict:
TopSpinName = pulDict[parName]
else:
TopSpinName = parName
j = TopSpinName.find(" ")
if TopSpinName.find("NAM") >= 0:
Thing = TopCmds.GETPAR(TopSpinName)
elif TopSpinName.find("PRG") >= 0:
#This broke in Topspin 3.1, and was fixed with GETPAR2 later
cpd = TopCmds.GETPAR('CPDPRG')
cpd = cpd.replace(" ", "")
#TopCmds.MSG(cpd)
cpdnum = ""
for i in TopSpinName:
if i.isdigit(): cpdnum = cpdnum + i
j = 0
k = 0
l = 0
m = 0
n = 0
for i in cpd:
j = j + 1
if i == "<": k = k + 1
if i == ">": l = l + 1
if k == int(cpdnum): n = j
if l == int(cpdnum): m = j
Thing = cpd[n + 1:m]
elif (TopSpinName.find("SP") >=0 and TopSpinName.find("NAM") <= 0) \
or TopSpinName.find("PL") >= 0 :
Thing = float(TopCmds.GETPAR(TopSpinName[:j] + unit + TopSpinName[j:]))
elif TopSpinName.find("Unused") >= 0:
Thing = "Unused"
else:
Thing = float(TopCmds.GETPAR(TopSpinName))
return Thing
def dialog():
MAS = TopCmds.GETPAR("CNST 31")
#MSG(MAS)
input = TopCmds.INPUT_DIALOG("EXPORTinput", "", \
["13C field ","15N field ","MAS ", "steps in Export Element", "C(Ix+Sx)=CFx", "B Iy", "B Sy", "Initial Phase"],\
["50","50",str(MAS),"100", "7.0", "0.375", "0.625", "90"],\
["kHz","kHz","Hz","","","","",""],\
["1","1", "1", "1", "1", "1", "1", "1"],\
["Accept","Close"], ['a','c'], 10)
return input
def dialog():
MAS = float(TopCmds.GETPAR("CNST 31"))
TauR = float(1000000 / MAS)
input = TopCmds.INPUT_DIALOG("R2T input", "", \
["Nominal RF ampl","MAS","R2T duration","RI,RO duration","steps","Ramp","I offset","S offset"],\
["85",str('%.0f' % MAS),"1.5",str( '%3.2f' % (TauR)),"1000","20","8.000","6.000"],\
["kHz"," Hz","ms","us","","+/- %","kHz","kHz"],\
["1","1","1","1","1","1","1","1"],\
["Accept","Close"], ['a','c'], 10)
return input
def dialog(Scale, Delta, Beta):
MAS = float(TopCmds.GETPAR("CNST 31"))
TauR = float(1000000 / MAS)
input = TopCmds.INPUT_DIALOG("DREAM input", "", \
["Total Duration","RI,RO duration","Scale","Ramp","Adiabicity"],\
["1.0",str( '%3.2f' % TauR),str( '%3.1f' % Scale),str( '%3.1f' % Delta),str( '%3.1f' % Beta)],\
["ms","us","%","+/- %",""],\
["1","1","1","1","1","1","1"],\
["Accept","Close"], ['a','c'], 10)
return input
def dialog():
MAS = float(TopCmds.GETPAR("CNST 31"))
TauR = float(1000000 / MAS)
Data = TopCmds.INPUT_DIALOG("Tangent Ramp Input", "", \
["Scaling","steps","Ramp (Delta)","Adiabicity (Beta)"],\
["50","500","20","4"],\
["%","","%",""],\
["1","1","1","1"],\
["Accept","Close"], ['a','c'], 10)
return Data
def main():
import TS_Version as Ver
import TopCmds
pp = TopCmds.GETPAR("PULPROG")
found = 0
name = ""
ver = get_PPvers(pp)
name = get_TSver(ver)
pul = __import__(name)
def __init__(self,name,channel):
#initialize the frequency
self.name = name
self.offsp = float(TopCmds.GETPAR("O"+str(channel)+"P"))
self.offs = float(TopCmds.GETPAR("O"+str(channel)))
self.bf = float(TopCmds.GETPAR("BF"+str(channel)))
#self.bf = float(TopCmds.GETPAR("1 BF"+str(channel)))
self.sf = float(TopCmds.GETPAR("SFO"+str(channel)))
self.rf = self.bf*1000000.
if TopCmds.GETPROCDIM() >= channel:
self.ref = float(TopCmds.GETPAR(str(channel)+" SR"))
else:
self.ref = 0.
self.ro = self.offs-self.ref
#self.carr =
if self.name.find("1H")>=0: self.nucl="1H"
if self.name.find("C")>=0: self.nucl="13C"
if self.name.find("2H")>=0: self.nucl="2H"
if self.name.find("D")>=0: self.nucl="2H"
if self.name.find("N")>=0: self.nucl="15N"
def C72():
oldC7=float(TopCmds.GETPAR("PLdB 17"))
LoopC7=float(TopCmds.GETPAR("L 7"))
index = TopCmds.INPUT_DIALOG("POST-C7 MAS", "POST-C7 changes for MAS change", \
["Old MAS rate","New MAS rate","Old 13C power","Mixing Loop (L7)"],\
[str(MASR),str(MAS),str(ampC7),str(LoopC7)],\
["kHz","kHz","dB",""],\
["1","1","1","1"],\
["Accept","Close"], ['a','c'], 10)
OldMAS=float(index[0])
NewMAS=float(index[1])
oldC7=float(index[2])
newL7 =float(index[3])
adjust=20*(math.log10(NewMAS/OldMAS))
newC7=oldC7-adjust
TopCmds.PUTPAR("PLdB 17",str('%3.2f' %Condition))
TopCmds.PUTPAR("L 7",str(14))
def SPC5():
oldC5=float(TopCmds.GETPAR("PLdB 15"))
LoopC5=float(TopCmds.GETPAR("L 5"))
index = TopCmds.INPUT_DIALOG("SPC5 MAS", "SPC5_2,3 changes for MAS change", \
["Old MAS rate","New MAS rate","Old 13C power","Mixing Loop (L5)"],\
[str(MASR),str(MAS),str(ampC5),str(LoopC5)],\
["kHz","kHz","dB",""],\
["1","1","1","1"],\
["Accept","Close"], ['a','c'], 10)
OldMAS=float(index[0])
NewMAS=float(index[1])
oldC5=float(index[2])
newL5 =float(index[3])
adjust=20*(math.log10(NewMAS/OldMAS))
newC5=oldC5-adjust
TopCmds.PUTPAR("PLdB 15",str('%3.2f' %newC5))
TopCmds.PUTPAR("L 5",str(newL5))
def CalS9refocus():
p90C=float(TopCmds.GETPAR("P 1"))
ampC=float(TopCmds.GETPAR("PLdB 1"))
MaxB1 = 1000000./4./p90C
p180sC=float(TopCmds.GETPAR("P 9"))
SPname=(TopCmds.GETPAR("SPNAM9"))
if p180sC == 0: p90sC = 1500000./MAS
SP=SPname
if SP == "gauss" : SP = "RSnob"
offs = float(TopCmds.GETPAR("SPOFFS 9"))
index = TopCmds.INPUT_DIALOG("OFF-resonance 180 Refocussing", "S9 soft 180", \
["Duration","Offset","Pulse Name (RSnob)"],\
[str(p180sC),str(offs),SP],\
["us","Hz",""],\
["1","1","1"],\
["Accept","Close"], ['a','c'], 10)
p180sC=float(index[0])
offs=float(index[1])
SP=index[2]
#TopCmds.MSG(str(p90sC)+' p90sC')
AvgAmp=IntShape.Integrate(SP)/100.
adjust=20*math.log10(2*p90C/p180sC/AvgAmp)
#TopCmds.MSG(str(adjust)+'adjust')
Power=ampC-adjust
#TopCmds.MSG(str(Power))
TopCmds.PUTPAR("PLdB 29",str('%3.2f' %Power))
TopCmds.PUTPAR("SPNAM9",SP)
TopCmds.PUTPAR("SPOFFS 9",str('%8.2f' %offs))
TopCmds.PUTPAR("P 9",str('%3.2f' %p180sC))
