From dc4e703d8f109876884e0ab80001f919d145baad Mon Sep 17 00:00:00 2001
From: Jiao Lin <linjiao@ornl.gov>
Date: Tue, 16 Apr 2019 16:04:35 -0400
Subject: [PATCH] Refs #16. refactor: move violini model to its own module

---
 dgsres/singlextal/plot.py    | 50 ++++--------------------------------
 dgsres/singlextal/violini.py | 48 ++++++++++++++++++++++++++++++++++
 2 files changed, 53 insertions(+), 45 deletions(-)
 create mode 100644 dgsres/singlextal/violini.py

diff --git a/dgsres/singlextal/plot.py b/dgsres/singlextal/plot.py
index 358ddf6..df6295f 100644
--- a/dgsres/singlextal/plot.py
+++ b/dgsres/singlextal/plot.py
@@ -2,7 +2,11 @@
 from . import use_covmat
 from .pointcloud import PointCloud
 from .simdata import McvineResolutionData
+from .violini import VioliniModel
+# backward compatible
+AnalyticalModel = VioliniModel
 
+# obsolete
 def createARCSAnalyticalModel(
     tau_P, tau_M, pix_r, pix_h,
     sample_thickness, 
@@ -26,56 +30,12 @@ def createARCSAnalyticalModel(
         height = "meter*%s" % pix_h,
         pressure = "10*atm",
         )
-    return AnalyticalModel(
+    return VioliniModel(
         instrument, pixel, tofwidths, beamdivs, 
         sample_yml, samplethickness,
         Ei, psi_scan)
 
 
-class AnalyticalModel:
-
-    """analytical resolution model based on paper by Violini et al.
-    The main calculation is done in module .use_covmat.
-    """
-    
-    def __init__(
-        self, instrument, pixel, tofwidths, beamdivs, 
-        sample_yml, samplethickness,
-        Ei, psi_scan):
-        self.instrument = instrument
-        self.pixel = pixel
-        self.tofwidths = tofwidths
-        self.beamdivs = beamdivs
-        self.sample_yml = sample_yml
-        self.samplethickness = samplethickness
-        self.Ei = Ei
-        self.psi_scan = psi_scan
-        return
-    
-    def computePointCloud(self, hkl, E, N=int(1e6)):
-        covmat = self.computeCovMat(hkl, E)
-        events = np.random.multivariate_normal(np.zeros(4), covmat, size=N)
-        dhs, dks, dls, dEs = events.T
-        ws = np.ones(dhs.shape)
-        return PointCloud(dhs, dks, dls, dEs, ws)
-    
-    def computeCovMat(self, hkl, E):
-        class dynamics:
-            hkl_dir = np.array([1.,0.,0.])
-            dq = 0
-        dynamics.hkl0 = hkl
-        dynamics.E = E
-        cm_res = use_covmat.compute(
-            self.sample_yml, self.Ei, 
-            dynamics, 
-            self.psi_scan,
-            self.instrument, self.pixel,
-            self.tofwidths, self.beamdivs, self.samplethickness,
-            plot=False)
-        # ellipsoid_trace = cm_res['u']
-        InvCov4D = cm_res['hklE_inv_cov']
-        return np.linalg.inv(InvCov4D)/2.355
-    
 def plotEllipsoid(covmat, q, symbol='.'):
     """plot 2d ellipsoid along a particular hkl direction, given the cov matrix.
     """
diff --git a/dgsres/singlextal/violini.py b/dgsres/singlextal/violini.py
new file mode 100644
index 0000000..5fad115
--- /dev/null
+++ b/dgsres/singlextal/violini.py
@@ -0,0 +1,48 @@
+import os, numpy as np
+from . import use_covmat
+from .pointcloud import PointCloud
+
+class VioliniModel:
+
+    """analytical resolution model based on paper by Violini et al.
+    The main calculation is done in module .use_covmat.
+    """
+    
+    def __init__(
+        self, instrument, pixel, tofwidths, beamdivs, 
+        sample_yml, samplethickness,
+        Ei, psi_scan):
+        self.instrument = instrument
+        self.pixel = pixel
+        self.tofwidths = tofwidths
+        self.beamdivs = beamdivs
+        self.sample_yml = sample_yml
+        self.samplethickness = samplethickness
+        self.Ei = Ei
+        self.psi_scan = psi_scan
+        return
+    
+    def computePointCloud(self, hkl, E, N=int(1e6)):
+        covmat = self.computeCovMat(hkl, E)
+        events = np.random.multivariate_normal(np.zeros(4), covmat, size=N)
+        dhs, dks, dls, dEs = events.T
+        ws = np.ones(dhs.shape)
+        return PointCloud(dhs, dks, dls, dEs, ws)
+    
+    def computeCovMat(self, hkl, E):
+        class dynamics:
+            hkl_dir = np.array([1.,0.,0.])
+            dq = 0
+        dynamics.hkl0 = hkl
+        dynamics.E = E
+        cm_res = use_covmat.compute(
+            self.sample_yml, self.Ei, 
+            dynamics, 
+            self.psi_scan,
+            self.instrument, self.pixel,
+            self.tofwidths, self.beamdivs, self.samplethickness,
+            plot=False)
+        # ellipsoid_trace = cm_res['u']
+        InvCov4D = cm_res['hklE_inv_cov']
+        return np.linalg.inv(InvCov4D)/2.355
+