diff --git a/Ewindow.py b/Ewindow.py index 695d8cb8c6551282964f000ec6e09337809e9880..d7786291d4da431bbb6b1cf724a623d2c72159d6 100644 --- a/Ewindow.py +++ b/Ewindow.py @@ -52,7 +52,7 @@ def elem_select(i, button): ############################################################################## # Init -def ewin_build(window, OFlabentries, mainwindow, calcbutton, distvar): +def ewin_build(window, OFlabentries, mainwindow, calcbutton, distvar, modevar, Labelframe): ############################################################################## # Element addition @@ -266,6 +266,15 @@ def ewin_build(window, OFlabentries, mainwindow, calcbutton, distvar): RL['state']='disabled' OFlabentries[9]['state']='disabled' OFlabentries[10]['state']='disabled' + for i in arange(6, 12): + Labentrys[i]['state']='disabled' + but['state']='disabled' + butrmv['state']='disabled' + butPTE['state']='disabled' + BUpdate['state']='disabled' + for n in arange(0, len(Ebuttons)): + Ebuttons[n]['state'] = 'disabled' + elif str(distvar.get()) == 'drawing': BLayer['state']='disabled' BUpdateD['state']='normal' @@ -273,6 +282,14 @@ def ewin_build(window, OFlabentries, mainwindow, calcbutton, distvar): RL['state']='normal' OFlabentries[9]['state']='normal' OFlabentries[10]['state']='normal' + for i in arange(6, 12): + Labentrys[i]['state']='normal' + but['state']='normal' + butrmv['state']='normal' + butPTE['state']='normal' + BUpdate['state']='normal' + for n in arange(0, len(Ebuttons)): + Ebuttons[n]['state'] = 'normal' def call_layers(): layers() @@ -294,6 +311,33 @@ def ewin_build(window, OFlabentries, mainwindow, calcbutton, distvar): RDra = tk.Radiobutton(Frames[7], text="Drawing", command=lambda i=int(Econtrol) :changestate(), variable=distvar, value='drawing') RDra.pack(side='right') +############################################################################## +# Experiment variations + + def changemode(): + if str(modevar.get()) == 'IONS': + for n in range(len(Ebuttons)): + Ebuttons[n]['state']='normal' + but['state'] = 'normal' + butrmv['state'] = 'normal' + butPTE['state'] = 'normal' + RLay['state'] = 'normal' + + elif str(modevar.get()) == 'RRNA': + RDra.invoke() + elem_select(0,Ebuttons) + but['state'] = 'disabled' + butrmv['state'] = 'disabled' + RLay['state'] = 'disabled' + for n in arange(1, len(Ebuttons)): + Ebuttons[n]['state'] = 'disabled' + + Rions = tk.Radiobutton(Labelframe, text="Ion Scattering", command=lambda i=i :changemode(), variable=modevar, value='IONS', width=18) + Rions.pack() + Rrrna = tk.Radiobutton(Labelframe, text="Resonant RNA", command=lambda i=i :changemode(), variable=modevar, value='RRNA', width=18) + Rrrna.pack() + Rions.select() + ############################################################################## # Init diff --git a/Ewindow.pyc b/Ewindow.pyc index bac76fa2c3b4e188292d6285b6c4040018f3bd83..c819bf7748c78226894d36c9259a1861928a4451 100644 Binary files a/Ewindow.pyc and b/Ewindow.pyc differ diff --git a/Hf.dat 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+0.0193580853094 +0.019006120122 +0.0186541549345 +0.0183021897471 +0.0179502245596 +0.0175982593722 +0.0172462941847 +0.0168943289973 +0.0165423638098 +0.0161903986224 +0.015838433435 +0.0154864682475 +0.0151345030601 +0.0147825378726 +0.0144305726852 +0.0140786074977 +0.0137266423103 +0.0133746771229 +0.0130227119354 +0.012670746748 +0.0123187815605 +0.0119668163731 +0.0116148511856 +0.0112628859982 +0.0109109208108 +0.0105589556233 +0.0102069904359 +0.00985502524842 +0.00950306006098 +0.00915109487353 +0.00879912968609 +0.00844716449865 +0.0080951993112 +0.00774323412376 +0.00739126893631 +0.00703930374887 +0.00668733856143 +0.00633537337398 +0.00598340818654 +0.0056314429991 +0.00527947781165 +0.00492751262421 +0.00457554743677 +0.00422358224932 +0.00387161706188 +0.00351965187444 +0.00316768668699 +0.00281572149955 +0.0024637563121 +0.00211179112466 +0.00175982593722 +0.00140786074977 +0.00105589556233 +0.000703930374887 +0.000351965187443 diff --git a/OpenFlatus.py b/OpenFlatus.py index e92fa2d36db7e7e290a58bb09d2df2db3dd6d015..b29b0f1bc554cd1fe91f12436fed109f2134641a 100644 --- a/OpenFlatus.py +++ b/OpenFlatus.py @@ -25,21 +25,24 @@ def init_calc(): ionb['mass'] = float(OFlabentries[22].get()) ionb['Z'] = float(OFlabentries[23].get()) - for i in range(len(Edict)): - Edict[i]['dist'] = np.loadtxt(Edict[i]['symbol']+".prof") + if str(modevar.get()) == 'IONS': + if str(distvar.get()) == 'drawing': + for i in range(len(Edict)): + Edict[i]['dist'] = np.loadtxt(Edict[i]['symbol']+".prof") + spectro(param, str(modelvar.get()), ionb, OFlabentries, int(LSvar.get()), int(CGvar.get())) + elif str(distvar.get()) == 'layer': + spectrolayer(param, str(modelvar.get()), ionb, OFlabentries, int(LSvar.get()), int(CGvar.get())) - if str(distvar.get()) == 'drawing': - spectro(param, str(modelvar.get()), ionb, OFlabentries, int(LSvar.get()), int(CGvar.get())) - elif str(distvar.get()) == 'layer': - spectrolayer(param, str(modelvar.get()), ionb, OFlabentries, int(LSvar.get()), int(CGvar.get())) + elif str(modevar.get()) == 'RRNA': + return 0 ############################################################################## # Main window root = tk.Tk() -root.minsize(670,470) +root.minsize(670,550) root.title('Open Flatus') -root.geometry('670x470+200+400') +root.geometry('670x500+200+400') ############################################################################## # Frames @@ -48,6 +51,8 @@ MasterFrame1.pack(side='left') MasterFrame2 = tk.Frame(root) MasterFrame2.pack(side='top') +Label0 = tk.LabelFrame(MasterFrame1, text = 'Experiment', relief='raised', bd=2) +Label0.pack(side='top') Label2 = tk.LabelFrame(MasterFrame1, text = 'Parameters', relief='raised', bd=2) Label2.pack(side='top') Label3 = tk.LabelFrame(MasterFrame1, text = 'Ion parameters', relief='raised', bd=2) @@ -133,6 +138,8 @@ OFlabentries[23].insert(0, ionb['Z']) ############################################################################## # Energy loss models +modevar = tk.StringVar() +modevar.set('IONS') modelvar = tk.StringVar() R1 = tk.Radiobutton(Label4, text="Gaussian", variable=modelvar, value='gaussiana') R1.pack() @@ -163,7 +170,7 @@ CalcButton.pack() distvar = tk.StringVar() distvar.set('drawing') -ewin_build(Label1, OFlabentries, root, CalcButton, distvar) +ewin_build(Label1, OFlabentries, root, CalcButton, distvar, modevar, Label0) ############################################################################## diff --git a/PTE.py b/PTE.py index 2bf7835e8aa6db38ebd490e28c84f0f6ff9bd21a..013f8d292a4d1b85485d9a04e07e7f375557cfbd 100644 --- a/PTE.py +++ b/PTE.py @@ -39,484 +39,362 @@ def PTable(Elem , Elembut, Labentrys): q1 = lambda: atomdef(H, Elem, Elembut) b1 = tk.Button(master, text="H", command=q1, width=1, height=1, bg='white') - b1.pack() q2 = lambda: atomdef(He, Elem, Elembut) b2 = tk.Button(master, text="He", command=q2, width=1, height=1, bg='pink') - b2.pack() q3 = lambda: atomdef(Li, Elem, Elembut) b3 = tk.Button(master, text="Li", command=q3, width=1, height=1, bg='yellow') - b3.pack() q4 = lambda: atomdef(Be, Elem, Elembut) b4 = tk.Button(master, text="Be", command=q4, width=1, height=1, bg='brown') - b4.pack() q5 = lambda: atomdef(B, Elem, Elembut) b5 = tk.Button(master, text="B", command=q5, width=1, height=1, bg='blue') - b5.pack() q6 = lambda: atomdef(C, Elem, Elembut) b6 = tk.Button(master, text="C", command=q6, width=1, height=1, bg='green') - b6.pack() q7 = lambda: atomdef(N, Elem, Elembut) b7 = tk.Button(master, text="N", command=q7, width=1, height=1, bg='green') - b7.pack() q8 = lambda: atomdef(O, Elem, Elembut) b8 = tk.Button(master, text="O", command=q8, width=1, height=1, bg='green') - b8.pack() q9 = lambda: atomdef(F, Elem, Elembut) b9 = tk.Button(master, text="F", command=q9, width=1, height=1, bg='red') - b9.pack() q10 = lambda: atomdef(Ne, Elem, Elembut) b10 = tk.Button(master, text="Ne", command=q10, width=1, height=1, bg='pink') - b10.pack() q11 = lambda: atomdef(Na, Elem, Elembut) b11 = tk.Button(master, text="Na", command=q11, width=1, height=1, bg='yellow') - b11.pack() q12 = lambda: atomdef(Mg, Elem, Elembut) b12 = tk.Button(master, text="Mg", command=q12, width=1, height=1, bg='brown') - b12.pack() q13 = lambda: atomdef(Al, Elem, Elembut) b13 = tk.Button(master, text="Al", command=q13, width=1, height=1, bg='purple') - b13.pack() q14 = lambda: atomdef(Si, Elem, Elembut) b14 = tk.Button(master, text="Si", command=q14, width=1, height=1, bg='blue') - b14.pack() q15 = lambda: atomdef(P, Elem, Elembut) b15 = tk.Button(master, text="P", command=q15, width=1, height=1, bg='green') - b15.pack() q16 = lambda: atomdef(S, Elem, Elembut) b16 = tk.Button(master, text="S", command=q16, width=1, height=1, bg='green') - b16.pack() q17 = lambda: atomdef(Cl, Elem, Elembut) b17 = tk.Button(master, text="Cl", command=q17, width=1, height=1, bg='red') - b17.pack() q18 = lambda: atomdef(Ar, Elem, Elembut) b18 = tk.Button(master, text="Ar", command=q18, width=1, height=1, bg='pink') - b18.pack() q19 = lambda: atomdef(K, Elem, Elembut) b19 = tk.Button(master, text="K", command=q19, width=1, height=1, bg='yellow') - b19.pack() q20 = lambda: atomdef(Ca, Elem, Elembut) b20 = tk.Button(master, text="Ca", command=q20, width=1, height=1, bg='brown') - b20.pack() q21 = lambda: atomdef(Sc, Elem, Elembut) b21 = tk.Button(master, text="Sc", command=q21, width=1, height=1) - b21.pack() q22 = lambda: atomdef(Ti, Elem, Elembut) b22 = tk.Button(master, text="Ti", command=q22, width=1, height=1) - b22.pack() q23 = lambda: atomdef(V, Elem, Elembut) b23 = tk.Button(master, text="V", command=q23, width=1, height=1) - b23.pack() q24 = lambda: atomdef(Cr, Elem, Elembut) b24 = tk.Button(master, text="Cr", command=q24, width=1, height=1) - b24.pack() q25 = lambda: atomdef(Mn, Elem, Elembut) b25 = tk.Button(master, text="Mn", command=q25, width=1, height=1) - b25.pack() q26 = lambda: atomdef(Fe, Elem, Elembut) b26 = tk.Button(master, text="Fe", command=q26, width=1, height=1) - b26.pack() q27 = lambda: atomdef(Co, Elem, Elembut) b27 = tk.Button(master, text="Co", command=q27, width=1, height=1) - b27.pack() q28 = lambda: atomdef(Ni, Elem, Elembut) b28 = tk.Button(master, text="Ni", command=q28, width=1, height=1) - b28.pack() q29 = lambda: atomdef(Cu, Elem, Elembut) b29 = tk.Button(master, text="Cu", command=q29, width=1, height=1) - b29.pack() q30 = lambda: atomdef(Zn, Elem, Elembut) b30 = tk.Button(master, text="Zn", command=q30, width=1, height=1) - b30.pack() q31 = lambda: atomdef(Ga, Elem, Elembut) b31 = tk.Button(master, text="Ga", command=q31, width=1, height=1, bg='purple') - b31.pack() q32 = lambda: atomdef(Ge, Elem, Elembut) b32 = tk.Button(master, text="Ge", command=q32, width=1, height=1, bg='blue') - b32.pack() q33 = lambda: atomdef(As, Elem, Elembut) b33 = tk.Button(master, text="As", command=q33, width=1, height=1, bg='blue') - b33.pack() q34 = lambda: atomdef(Se, Elem, Elembut) b34 = tk.Button(master, text="Se", command=q34, width=1, height=1, bg='green') - b34.pack() q35 = lambda: atomdef(Br, Elem, Elembut) b35 = tk.Button(master, text="Br", command=q35, width=1, height=1, bg='red') - b35.pack() q36 = lambda: atomdef(Kr, Elem, Elembut) b36 = tk.Button(master, text="Kr", command=q36, width=1, height=1, bg='pink') - b36.pack() q37 = lambda: atomdef(Rb, Elem, Elembut) b37 = tk.Button(master, text="Rb", command=q37, width=1, height=1, bg='yellow') - b37.pack() q38 = lambda: atomdef(Sr, Elem, Elembut) b38 = tk.Button(master, text="Sr", command=q38, width=1, height=1, bg='brown') - b38.pack() q39 = lambda: atomdef(Y, Elem, Elembut) b39 = tk.Button(master, text="Y", command=q39, width=1, height=1) - b39.pack() q40 = lambda: atomdef(Zr, Elem, Elembut) b40 = tk.Button(master, text="Zr", command=q40, width=1, height=1) - b40.pack() q41 = lambda: atomdef(Nb, Elem, Elembut) b41 = tk.Button(master, text="Nb", command=q41, width=1, height=1) - b41.pack() q42 = lambda: atomdef(Mo, Elem, Elembut) b42 = tk.Button(master, text="Mo", command=q42, width=1, height=1) - b42.pack() q43 = lambda: atomdef(Tc, Elem, Elembut) b43 = tk.Button(master, text="Tc", command=q43, width=1, height=1) - b43.pack() q44 = lambda: atomdef(Ru, Elem, Elembut) b44 = tk.Button(master, text="Ru", command=q44, width=1, height=1) - b44.pack() q45 = lambda: atomdef(Rh, Elem, Elembut) b45 = tk.Button(master, text="Rh", command=q45, width=1, height=1) - b45.pack() q46 = lambda: atomdef(Pd, Elem, Elembut) b46 = tk.Button(master, text="Pd", command=q46, width=1, height=1) - b46.pack() q47 = lambda: atomdef(Ag, Elem, Elembut) b47 = tk.Button(master, text="Ag", command=q47, width=1, height=1) - b47.pack() q48 = lambda: atomdef(Cd, Elem, Elembut) b48 = tk.Button(master, text="Cd", command=q48, width=1, height=1) - b48.pack() q49 = lambda: atomdef(In, Elem, Elembut) b49 = tk.Button(master, text="In", command=q49, width=1, height=1, bg='purple') - b49.pack() q50 = lambda: atomdef(Sn, Elem, Elembut) b50 = tk.Button(master, text="Sn", command=q50, width=1, height=1, bg='purple') - b50.pack() q51 = lambda: atomdef(Sb, Elem, Elembut) b51 = tk.Button(master, text="Sb", command=q51, width=1, height=1, bg='blue') - b51.pack() q52 = lambda: atomdef(Te, Elem, Elembut) b52 = tk.Button(master, text="Te", command=q52, width=1, height=1, bg='blue') - b52.pack() q53 = lambda: atomdef(I, Elem, Elembut) b53 = tk.Button(master, text="I", command=q53, width=1, height=1, bg='red') - b53.pack() q54 = lambda: atomdef(Xe, Elem, Elembut) b54 = tk.Button(master, text="Xe", command=q54, width=1, height=1, bg='pink') - b54.pack() q55 = lambda: atomdef(Cs, Elem, Elembut) b55 = tk.Button(master, text="Cs", command=q55, width=1, height=1, bg='yellow') - b55.pack() q56 = lambda: atomdef(Ba, Elem, Elembut) b56 = tk.Button(master, text="Ba", command=q56, width=1, height=1, bg='brown') - b56.pack() q57 = lambda: atomdef(La, Elem, Elembut) b57 = tk.Button(master, text="La", command=q57, width=1, height=1, bg='grey') - b57.pack() q58 = lambda: atomdef(Ce, Elem, Elembut) b58 = tk.Button(master, text="Ce", command=q58, width=1, height=1, bg='grey') - b58.pack() q59 = lambda: atomdef(Pr, Elem, Elembut) b59 = tk.Button(master, text="Pr", command=q59, width=1, height=1, bg='grey') - b59.pack() q60 = lambda: atomdef(Nd, Elem, Elembut) b60 = tk.Button(master, text="Nd", command=q60, width=1, height=1, bg='grey') - b60.pack() q61 = lambda: atomdef(Pm, Elem, Elembut) b61 = tk.Button(master, text="Pm", command=q61, width=1, height=1, bg='grey') - b61.pack() q62 = lambda: atomdef(Sm, Elem, Elembut) b62 = tk.Button(master, text="Sm", command=q62, width=1, height=1, bg='grey') - b62.pack() q63 = lambda: atomdef(Eu, Elem, Elembut) b63 = tk.Button(master, text="Eu", command=q63, width=1, height=1, bg='grey') - b63.pack() q64 = lambda: atomdef(Gd, Elem, Elembut) b64 = tk.Button(master, text="Gd", command=q64, width=1, height=1, bg='grey') - b64.pack() q65 = lambda: atomdef(Tb, Elem, Elembut) b65 = tk.Button(master, text="Tb", command=q65, width=1, height=1, bg='grey') - b65.pack() q66 = lambda: atomdef(Dy, Elem, Elembut) b66 = tk.Button(master, text="Dy", command=q66, width=1, height=1, bg='grey') - b66.pack() q67 = lambda: atomdef(Ho, Elem, Elembut) b67 = tk.Button(master, text="Ho", command=q67, width=1, height=1, bg='grey') - b67.pack() q68 = lambda: atomdef(Er, Elem, Elembut) b68 = tk.Button(master, text="Er", command=q68, width=1, height=1, bg='grey') - b68.pack() q69 = lambda: atomdef(Tm, Elem, Elembut) b69 = tk.Button(master, text="Tm", command=q69, width=1, height=1, bg='grey') - b69.pack() q70 = lambda: atomdef(Yb, Elem, Elembut) b70 = tk.Button(master, text="Yb", command=q70, width=1, height=1, bg='grey') - b70.pack() q71 = lambda: atomdef(Lu, Elem, Elembut) b71 = tk.Button(master, text="Lu", command=q71, width=1, height=1, bg='grey') - b71.pack() q72 = lambda: atomdef(Hf, Elem, Elembut) b72 = tk.Button(master, text="Hf", command=q72, width=1, height=1) - b72.pack() q73 = lambda: atomdef(Ta, Elem, Elembut) b73 = tk.Button(master, text="Ta", command=q73, width=1, height=1) - b73.pack() q74 = lambda: atomdef(W, Elem, Elembut) b74 = tk.Button(master, text="W", command=q74, width=1, height=1) - b74.pack() q75 = lambda: atomdef(Re, Elem, Elembut) b75 = tk.Button(master, text="Re", command=q75, width=1, height=1) - b75.pack() q76 = lambda: atomdef(Os, Elem, Elembut) b76 = tk.Button(master, text="Os", command=q76, width=1, height=1) - b76.pack() q77 = lambda: atomdef(Ir, Elem, Elembut) b77 = tk.Button(master, text="Ir", command=q77, width=1, height=1) - b77.pack() q78 = lambda: atomdef(Pt, Elem, Elembut) b78 = tk.Button(master, text="Pt", command=q78, width=1, height=1) - b78.pack() q79 = lambda: atomdef(Au, Elem, Elembut) b79 = tk.Button(master, text="Au", command=q79, width=1, height=1) - b79.pack() q80 = lambda: atomdef(Hg, Elem, Elembut) b80 = tk.Button(master, text="Hg", command=q80, width=1, height=1) - b80.pack() q81 = lambda: atomdef(Tl, Elem, Elembut) b81 = tk.Button(master, text="Tl", command=q81, width=1, height=1, bg='purple') - b81.pack() q82 = lambda: atomdef(Pb, Elem, Elembut) b82 = tk.Button(master, text="Pb", command=q82, width=1, height=1, bg='purple') - b82.pack() q83 = lambda: atomdef(Bi, Elem, Elembut) b83 = tk.Button(master, text="Bi", command=q83, width=1, height=1, bg='purple') - b83.pack() q84 = lambda: atomdef(Po, Elem, Elembut) b84 = tk.Button(master, text="Po", command=q84, width=1, height=1, bg='blue') - b84.pack() q85 = lambda: atomdef(At, Elem, Elembut) b85 = tk.Button(master, text="At", command=q85, width=1, height=1, bg='red') - b85.pack() q86 = lambda: atomdef(Rn, Elem, Elembut) b86 = tk.Button(master, text="Rn", command=q86, width=1, height=1, bg='pink') - b86.pack() q87 = lambda: atomdef(Fr, Elem, Elembut) b87 = tk.Button(master, text="Fr", command=q87, width=1, height=1, bg='yellow') - b87.pack() q88 = lambda: atomdef(Ra, Elem, Elembut) b88 = tk.Button(master, text="Ra", command=q88, width=1, height=1, bg='brown') - b88.pack() q89 = lambda: atomdef(Ac, Elem, Elembut) b89 = tk.Button(master, text="Ac", command=q89, width=1, height=1, bg='grey') - b89.pack() q90 = lambda: atomdef(Th, Elem, Elembut) b90 = tk.Button(master, text="Th", command=q90, width=1, height=1, bg='grey') - b90.pack() q91 = lambda: atomdef(Pa, Elem, Elembut) b91 = tk.Button(master, text="Pa", command=q91, width=1, height=1, bg='grey') - b91.pack() q92 = lambda: atomdef(U, Elem, Elembut) b92 = tk.Button(master, text="U", command=q92, width=1, height=1, bg='grey') - b92.pack() q93 = lambda: atomdef(Np, Elem, Elembut) b93 = tk.Button(master, text="Np", command=q93, width=1, height=1, bg='grey') - b93.pack() q94 = lambda: atomdef(Pu, Elem, Elembut) b94 = tk.Button(master, text="Pu", command=q94, width=1, height=1, bg='grey') - b94.pack() q95 = lambda: atomdef(Am, Elem, Elembut) b95 = tk.Button(master, text="Am", command=q95, width=1, height=1, bg='grey') - b95.pack() q96 = lambda: atomdef(Cm, Elem, Elembut) b96 = tk.Button(master, text="Cm", command=q96, width=1, height=1, bg='grey') - b96.pack() q97 = lambda: atomdef(Bk, Elem, Elembut) b97 = tk.Button(master, text="Bk", command=q97, width=1, height=1, bg='grey') - b97.pack() q98 = lambda: atomdef(Cf, Elem, Elembut) b98 = tk.Button(master, text="Cf", command=q98, width=1, height=1, bg='grey') - b98.pack() q99 = lambda: atomdef(Es, Elem, Elembut) b99 = tk.Button(master, text="Es", command=q99, width=1, height=1, bg='grey') - b99.pack() q100 = lambda: atomdef(Fm, Elem, Elembut) b100 = tk.Button(master, text="Fm", command=q100, width=1, height=1, bg='grey') - b100.pack() q101 = lambda: atomdef(Md, Elem, Elembut) b101 = tk.Button(master, text="Md", command=q101, width=1, height=1, bg='grey') - b101.pack() q102 = lambda: atomdef(No, Elem, Elembut) b102 = tk.Button(master, text="No", command=q102, width=1, height=1, bg='grey') - b102.pack() q103 = lambda: atomdef(Lr, Elem, Elembut) b103 = tk.Button(master, text="Lr", command=q103, width=1, height=1, bg='grey') - b103.pack() q104 = lambda: atomdef(Rf, Elem, Elembut) b104 = tk.Button(master, text="Rf", command=q104, width=1, height=1) - b104.pack() q105 = lambda: atomdef(Db, Elem, Elembut) b105 = tk.Button(master, text="Db", command=q105, width=1, height=1) - b105.pack() q106 = lambda: atomdef(Sg, Elem, Elembut) b106 = tk.Button(master, text="Sg", command=q106, width=1, height=1) - b106.pack() q107 = lambda: atomdef(Bh, Elem, Elembut) b107 = tk.Button(master, text="Bh", command=q107, width=1, height=1) - b107.pack() q108 = lambda: atomdef(Hs, Elem, Elembut) b108 = tk.Button(master, text="Hs", command=q108, width=1, height=1) - b108.pack() q109 = lambda: atomdef(Mt, Elem, Elembut) b109 = tk.Button(master, text="Mt", command=q109, width=1, height=1) - b109.pack() q110 = lambda: atomdef(Ds, Elem, Elembut) b110 = tk.Button(master, text="Ds", command=q110, width=1, height=1) - b110.pack() q111 = lambda: atomdef(Rg, Elem, Elembut) b111 = tk.Button(master, text="Rg", command=q111, width=1, height=1) - b111.pack() q112 = lambda: atomdef(Cn, Elem, Elembut) b112 = tk.Button(master, text="Cn", command=q112, width=1, height=1) - b112.pack() q113 = lambda: atomdef(Uut, Elem, Elembut) b113 = tk.Button(master, text="Uut", command=q113, width=1, height=1, bg='purple') - b113.pack() q114 = lambda: atomdef(Uuq, Elem, Elembut) b114 = tk.Button(master, text="Uuq", command=q114, width=1, height=1, bg='purple') - b114.pack() q115 = lambda: atomdef(Uup, Elem, Elembut) b115 = tk.Button(master, text="Uup", command=q115, width=1, height=1, bg='purple') - b115.pack() q116 = lambda: atomdef(Uuh, Elem, Elembut) b116 = tk.Button(master, text="Uuh", command=q116, width=1, height=1, bg='purple') - b116.pack() q117 = lambda: atomdef(Uus, Elem, Elembut) b117 = tk.Button(master, text="Uus", command=q117, width=1, height=1, bg='purple') - b117.pack() q118 = lambda: atomdef(Uuo, Elem, Elembut) b118 = tk.Button(master, text="Uuo", command=q118, width=1, height=1, bg='purple') - b118.pack() null1 = tk.Button(master, text="*", width=1, height=1, relief = 'flat') null2 = tk.Button(master, text="*", width=1, height=1, relief = 'flat') null3 = tk.Button(master, text="**", width=1, height=1, relief = 'flat') - null4 = tk.Button(master, text="**", width=1, height=1, relief = 'flat') - null1.pack() - null2.pack() - null3.pack() - null4.pack() + null4 = tk.Button(master, text="**", width=1, height=1, relief = 'flat') #################################################### # Grid diff --git a/PTE.pyc b/PTE.pyc index 178a85f9adecfd71e7c6cf8d1c9e153bb1c907cb..5fd254c1b00b14c30a1be15b874df9a221d5c39b 100644 Binary files a/PTE.pyc and b/PTE.pyc differ diff --git a/layers.py b/layers.py index 9abb23ac1ae9ccf5d270137a187eb71a50c4249d..caceddc5f29d6190b2ac790eef53f79e3603bd9b 100644 --- a/layers.py +++ b/layers.py @@ -7,30 +7,11 @@ from PTE import * Frms = list() Ldict = list() Laycount = 0 -currdepht = 0 ############################################################################## ############################################################################## # Common Functions -def Dminchange(layernum): - number = float(Ldict[layernum]['LandE'][6].get()) - Ldict[layernum]['Dmin'] = number - if layernum > 0: - Ldict[layernum-1]['Dmax'] = number - Ldict[layernum-1]['LandE'][7].delete(0, 'end') - Ldict[layernum-1]['LandE'][7].insert(0, number) - -def Dmaxchange(layernum): - number = float(Ldict[layernum]['LandE'][7].get()) - Ldict[layernum]['Dmax'] = number - if layernum < len(Ldict): - Ldict[layernum+1]['Dmin'] = number - Ldict[layernum+1]['LandE'][6].delete(0, 'end') - Ldict[layernum+1]['LandE'][6].insert(0, number) - -############################################################################## - def elem_callback(x, edict , ebutton, Labentrys): PTable(edict[x] , ebutton[x], Labentrys) @@ -93,13 +74,13 @@ class Layer: # 2 // 8 = Z (Atomic number) # 3 // 9 = Symbol # 4 // 10 = Line shape - # 5 // 11 = Max Depht + # 5 // 11 = Max Depht (Not used) Labentrys.insert(0, tk.Label(Frames[3], width=23, pady=2, text='%s' %self.Elements[i]['name']) ) Labentrys.insert(1, tk.Label(Frames[3], width=23, pady=2, text='Mass - %f' %self.Elements[i]['mass']) ) Labentrys.insert(2, tk.Label(Frames[3], width=23, pady=2, text='Z - %f' %self.Elements[i]['Z']) ) Labentrys.insert(3, tk.Label(Frames[3], width=23, pady=2, text= 'Symbol - %s' %self.Elements[i]['symbol']) ) Labentrys.insert(4, tk.Label(Frames[3], width=23, pady=2, text='Line Shape α - %f' %self.Elements[i]['LineShape']) ) - Labentrys.insert(5, tk.Label(Frames[3]) ) + Labentrys.insert(5, tk.Label(Frames[3]) ) #To fill structure of function called for n in range(5): Labentrys[n].pack() @@ -141,7 +122,7 @@ class Layer: del self.Spinboxes[self.Ecount] def __init__(self, canvas, count): - global Ldict, currdepht + global Ldict self.Number=count self.Ecount=0 @@ -151,8 +132,7 @@ class Layer: self.Frames=list() self.LandE=list() self.Buttons=list() - self.Dmin=currdepht - self.Dmax=currdepht+1. + self.Depht=1. self.LabelFrm = tk.LabelFrame(canvas, text = 'Layer %d' %int(Laycount+1), relief='raised', bd=2) self.LabelFrm.grid(column=(Laycount%4), row=int(math.floor(Laycount/4)) ) @@ -176,15 +156,13 @@ class Layer: self.LandE.insert(0, tk.Label(self.Frames[4], width=14, pady=2, text='dƐ/dx') ) self.LandE.insert(1, tk.Label(self.Frames[4], width=14, pady=2, text='dω²/dx') ) - self.LandE.insert(2, tk.Label(self.Frames[4], width=14, pady=2, text='Depht min(nm)') ) - self.LandE.insert(3, tk.Label(self.Frames[4], width=14, pady=2, text='Depht max(nm)') ) + self.LandE.insert(2, tk.Label(self.Frames[4], width=14, pady=2, text='Depht(nm)') ) - for i in arange(4,6): + for i in arange(3,5): self.LandE.insert(i, tk.Entry(self.Frames[5], width=11) ) - self.LandE.insert(6, tk.Entry(self.Frames[5], width=11, )) - self.LandE.insert(7, tk.Entry(self.Frames[5], width=11, )) + self.LandE.insert(5, tk.Entry(self.Frames[5], width=11, )) - for i in range(8): + for i in range(6): self.LandE[i].pack() self.Buttons.insert(0, tk.Button(self.Frames[4], command=lambda i=i :Ldict[self.Number].addel(), text='Add element',width=11)) @@ -192,12 +170,9 @@ class Layer: for i in range(2): self.Buttons[i].pack() - self.LandE[4].insert(0, 200.) - self.LandE[5].insert(0, 20000.) - self.LandE[6].insert(0, self.Dmin) - self.LandE[7].insert(0, self.Dmax) - - currdepht = currdepht + 1. + self.LandE[3].insert(0, 200.) + self.LandE[4].insert(0, 20000.) + self.LandE[5].insert(0, self.Depht) ############################################################################## ############################################################################## diff --git a/numerical.py b/numerical.py index 5eae57306af90c7436616102524a8d2d7a5c2e0c..e04de70cb663c2a0cdf56aa269c1c77324cc10c3 100644 --- a/numerical.py +++ b/numerical.py @@ -10,6 +10,8 @@ from Ewindow import Edict from layers import Ldict PI=math.pi +#xx = arange(0,1, 0.1) +#tempor, = plot(xx,xx*0) #################################################################################################################################################### # Seção de choque Rutherford @@ -152,7 +154,11 @@ def spectro(p, modelo, ion, OFlabentries, LScontrol, CGausscontrol): if CGausscontrol == 1: X, gshift = convoluiGauss(X,resol/2.35482,EPasso) plt.plot(e-gshift,X*dose, linecolor) - ylim([0,max(X*dose)*1.1]) + #tempor.set_xdata(e-gshift) + #tempor.set_ydata(X*dose) + #tempor.set_color(linecolor) + ylim([0,max(X*dose)*1.1]) + xlim([0,max(e-gshift)*1.05]) suptitle('Signal received', fontsize=12) xlabel("Enegy (eV)") ylabel("Yield") @@ -166,7 +172,7 @@ def spectro(p, modelo, ion, OFlabentries, LScontrol, CGausscontrol): xxx= amostra[:,0]*1000 ccc=amostra[:,1] - plot (xxx, ccc, 'r.') + #plot (xxx, ccc, 'r.') show() #################################################################################################################################################### @@ -181,21 +187,23 @@ def spectrolayer(p, modelo, ion, OFlabentries, LScontrol, CGausscontrol): X = e*0. dose = 12e34 gshift=0. - antizerodiv=0. + curdepht=passox #Avoid zero division Theta_s = PI - (p['Theta_in'] + p['Theta_out'])*PI/180 mi = ion['mass'] for camada in Ldict: + xfinal = curdepht + float(camada.LandE[5].get()) + ## Calcula o espectro de cada elemento da amostra for componente in range(len(camada.Elements)): - + mt = camada.Elements[componente]['mass'] c = float(camada.Spinboxes[componente].get()) alpha_lineshape = camada.Elements[componente]['LineShape'] - dedx = float(camada.LandE[4].get()) - dW2dx = float(camada.LandE[5].get()) + dedx = float(camada.LandE[3].get()) + dW2dx = float(camada.LandE[4].get()) k = ((sqrt (mt**2+mi**2*(sin(Theta_s)**2)) + mi*cos(Theta_s) ) / (mi+mt) )**2 dedxef=dedx*(k/cos(p['Theta_in']*PI/180.) + 1/cos(p['Theta_out']*PI/180.)) @@ -204,28 +212,14 @@ def spectrolayer(p, modelo, ion, OFlabentries, LScontrol, CGausscontrol): sinalbessel = e*0 sinalgaussiana = e*0 - xinit = float(camada.LandE[6].get()) - xfinal = float(camada.LandE[7].get()) - if xinit == 0: - antizerodiv = passox - else: - antizerodiv = 0 - - # Calcula a contribuição de cada camada - for x in arange(xinit+antizerodiv, xfinal, passox): + # Calcula a contribuição de cada passo + for x in arange(curdepht, xfinal, passox): # Seção de choque - CSRf(Z1, Z2, Ein, M1, M2, Theta): CS = c*k*CSRf(ion['Z'], camada.Elements[componente]['Z'], k*p['E0']-dedxef*x, mi, mt, Theta_s)*passox # É multiplicada pelo passo para manter a escala do gráfico independente do mesmo. # Bessel: - # Ainda falta incluir a delta de Dirac na origem - # Existe um valor máximo em energia no qual a função de Bessel pode ser computada em função - # da precisão numérica. Uma possível solução pode ser trabalhar em outras unidades que não - # resultem em argumentos tão grandes para a função exponencial. - # Também temos um problema com a primeira camada, que tem profundidade zero. - # Perceba que os cálculos de Bessel correspondentes às camadas mais fundas estão truncados - # para uma perda de energia maior que 25 keV. (Observado com Theta_in=70, para x > 30) if modelo == 'bessel': alpha=dedxef*(2./dw2dxef) m=alpha*dedxef @@ -253,6 +247,8 @@ def spectrolayer(p, modelo, ion, OFlabentries, LScontrol, CGausscontrol): X = sinalgaussiana + X linecolor='b' + curdepht = xfinal + if CGausscontrol == 1: X, gshift = convoluiGauss(X,resol/2.35482,EPasso) plt.plot(e-gshift,X*dose, linecolor) diff --git a/numerical.pyc b/numerical.pyc index b32c21004b6cc2924b94d8b8a20f880269c2db72..54bf905e9608e2bb65bcebe674f4c01d92c95cdc 100644 Binary files a/numerical.pyc and b/numerical.pyc differ diff --git a/temp.sim b/temp.sim index 8883c0ee4bba4c7c4b0989241454154bc177d777..dc18deb782649ca514b1ef000dae5ce647cfe41c 100644 --- a/temp.sim +++ b/temp.sim @@ -1,1500 +1,1500 @@ 69694.244146 0.0 -69714.244146 2.17812256328e-122 -69734.244146 8.54084448078e-122 -69754.244146 2.49745034693e-121 -69774.244146 6.38527012167e-121 -69794.244146 1.49286018821e-120 -69814.244146 3.24853186356e-120 -69834.244146 6.6366681382e-120 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