def WDSCrystal(xrt, n=1, R=RolandCircleRadius): """Synatx: WDSCrystal(xrt,n=1,[R=RolandCircleRadius]) Prints a list of the WDS crystals alternatives along with the associated L-value. (Note: xrt may be an element or an XRayTransitionSet (see getTransitionSet(...))""" xrts = [] if isinstance(xrt, epq.XRayTransition): xrts = xrts + [xrt] elif isinstance(xrt, str) or isinstance(xrt, epq.Element): elm = dtsa2.element(xrt) for tr in [epq.XRayTransition.KA1, epq.XRayTransition.LA1, epq.XRayTransition.MA1]: if epq.XRayTransition.exists(elm, tr): xrts = xrts + [epq.XRayTransition(elm, tr)] elif isinstance(xrt, epq.XRayTransitionSet): xrts = xrt.getTransitions() else: print "Invalid argument: %s" % xrt return zippo = True for cry, twoD in TwoDSpacing.iteritems(): for tr in xrts: L = WDS_L(cry, tr, n, R) if (L > 60) and (L < 260): if zippo: print "Crystal\tLine\tL Value" zippo = False print "%s\t%s\t%3.6g" % (cry, tr, L) if zippo: print "None"
simDir = homDir + relPrj + "/dat/simDir" csvDir = homDir + relPrj + "/dat/csv" jmg.ensureDir(simDir) jmg.ensureDir(csvDir) # wd = homDir + relPrj + "/py/dtsa" wd = homDir + relPrj + "/py/dtsa" os.chdir(wd) pyrDir = wd + "/simPdLineInCuMatrix Results" #start clean DataManager.clearSpectrumList() # xrts=mc3.suggestTransitions("PdCu") xrts = [epq.XRayTransition(epq.Element.Cu, epq.XRayTransition.LA1), epq.XRayTransition(epq.Element.Pd, epq.XRayTransition.LA1)] xtraParams={} xtraParams.update(mc3.configureXRayAccumulators(xrts, charAccum=charF, charFluorAccum=charF, bremFluorAccum=bremF)) xtraParams.update(mc3.configureOutput(simDir)) xtraParams.update(mc3.configureBeam(0.5*nmLinWid*1.0e-9, 0, -0.099, 1.0)) # xtraParams.update(mc3.configureGun(gun)) # mc3.useHeatMapPalette() print(xtraParams) # spc = jm3.lineInMatrix(lin, blk, nmLinWid, umBlock, det, e0, withPoisson=True, nTraj=nTraj, dose=dose, sf=charF, bf=bremF, xtraParams=xtraParams) # spc = jm3.lineInMatrix(lin, blk, nmLinWid, umBlock, det, e0, poisN, nTraj, dose, charF, bremF, xtraParams) #e0=20.0, dose=defaultDose, withPoisson=poisN, nTraj=defaultNumTraj, sf=defaultCharFluor, bf=defaultBremFluor, xtraParams=defaultXtraParams): # spc = mc3.simulate(blk, det, e0, dose, poisN, nTraj, charF, bremF, xtraParams) #