modified output.c to increase float number

2022-08-31 19:16:58 +09:00
parent 9d446f1d61
commit 3a632914b9
4 changed files with 97 additions and 76 deletions
@@ -11,7 +11,7 @@ par = argparse.ArgumentParser(description="test")
 par.add_argument('grfile')
 par.add_argument('-q', '--qrange', nargs=2, default=None, type=float)
 par.add_argument('-t', '--trange', nargs=2, default=[10, 120], type=float)
-par.add_argument('--pnt', default=1000>, type=int)
+par.add_argument('--pnt', default=1001, type=int)
 par.add_argument('--lmd', default=1.54183, type=float)
 args = par.parse_args()

@@ -1102,6 +1102,8 @@ class Data():
            qmin, qmax = sorted([args.qrange[0], args.qrange[1]])
            q = np.linspace(qmin, qmax, args.pnt)
        self.sq["Q"] = q
+        t = args.lmd/4/np.pi * self.sq["Q"]
+        self.sq["2theta"] = 2*np.arcsin(t[t < 1]) * 180/np.pi
        r = np.array(self.gr["r"])
        dr = self.gr["r"][1] - self.gr["r"][0]
        coeff = 4*np.pi*self.rho/q
@@ -1164,4 +1166,5 @@ class Data():


 d = Data(args.grfile)
+
 d.PlotSq()