Hi, I tried to make a patch of first already pre-discussed changes in CST branch of 1.3 line . According to the manual I am sending the patch file and I created commit-log message below this text (I hope I understood the instructions correctly).
Pavel
task#6397
kada _at_ chemi _dot_ muni _dot_ cz
This is a first attempt of change in CST branch, it includes change of name xh_unit_vector to more general name unit_vector
Added loop over loaded interaction vectors.
Discussed in
Message-ID: <
7f080ed11003251002s1f450015qc768bd4e7a4d3c71@xxxxxxxxxxxxxx >
diff -ur cst_orig/maths_fns/direction_cosine.py cst/maths_fns/direction_cosine.py
--- cst_orig/maths_fns/direction_cosine.py 2010-03-30 20:13:34.000000000 +0200
+++ cst/maths_fns/direction_cosine.py 2010-03-30 21:12:32.000000000 +0200
@@ -61,7 +61,7 @@
diff_data.dpar[2] = diff_data.cos_theta
# Direction cosine.
-
data.dz = dot(data.xh_unit_vector, diff_data.dpar)
+
data.dz = dot(data.unit_vector, diff_data.dpar)
@@ -97,8 +97,8 @@
diff_data.dpar_dphi[2] = 0.0
# Direction cosine gradient.
- data.ddz_dO[0] = dot(data.xh_unit_vector, diff_data.dpar_dtheta)
- data.ddz_dO[1] = dot(data.xh_unit_vector, diff_data.dpar_dphi)
+ data.ddz_dO[0] = dot(data.unit_vector, diff_data.dpar_dtheta)
+ data.ddz_dO[1] = dot(data.unit_vector, diff_data.dpar_dphi)
@@ -145,9 +145,9 @@
diff_data.dpar_dphi2[2] = 0.0
# Direction cosine Hessian.
- data.d2dz_dO2[0, 0] = dot(data.xh_unit_vector, diff_data.dpar_dtheta2)
- data.d2dz_dO2[0, 1] = data.d2dz_dO2[1, 0] = dot(data.xh_unit_vector, diff_data.dpar_dthetadphi)
- data.d2dz_dO2[1, 1] = dot(data.xh_unit_vector, diff_data.dpar_dphi2)
+ data.d2dz_dO2[0, 0] = dot(data.unit_vector, diff_data.dpar_dtheta2)
+ data.d2dz_dO2[0, 1] = data.d2dz_dO2[1, 0] = dot(data.unit_vector, diff_data.dpar_dthetadphi)
+ data.d2dz_dO2[1, 1] = dot(data.unit_vector, diff_data.dpar_dphi2)
@@ -230,9 +230,9 @@
diff_data.dz[2] = data.cos_b
# Direction cosines.
- data.dx = dot(data.xh_unit_vector, diff_data.dx)
- data.dy = dot(data.xh_unit_vector, diff_data.dy)
-
data.dz = dot(data.xh_unit_vector,
diff_data.dz)
+ data.dx = dot(data.unit_vector, diff_data.dx)
+ data.dy = dot(data.unit_vector, diff_data.dy)
+
data.dz = dot(data.unit_vector,
diff_data.dz)
@@ -360,16 +360,16 @@
# Direction cosine gradients
############################
- data.ddx_dO[0] = dot(data.xh_unit_vector, diff_data.ddx_dalpha)
- data.ddx_dO[1] = dot(data.xh_unit_vector, diff_data.ddx_dbeta)
- data.ddx_dO[2] = dot(data.xh_unit_vector, diff_data.ddx_dgamma)
-
- data.ddy_dO[0] = dot(data.xh_unit_vector, diff_data.ddy_dalpha)
- data.ddy_dO[1] = dot(data.xh_unit_vector, diff_data.ddy_dbeta)
- data.ddy_dO[2] = dot(data.xh_unit_vector, diff_data.ddy_dgamma)
+ data.ddx_dO[0] = dot(data.unit_vector, diff_data.ddx_dalpha)
+ data.ddx_dO[1] = dot(data.unit_vector, diff_data.ddx_dbeta)
+ data.ddx_dO[2] = dot(data.unit_vector, diff_data.ddx_dgamma)
+
+ data.ddy_dO[0] = dot(data.unit_vector, diff_data.ddy_dalpha)
+ data.ddy_dO[1] = dot(data.unit_vector, diff_data.ddy_dbeta)
+ data.ddy_dO[2] = dot(data.unit_vector, diff_data.ddy_dgamma)
- data.ddz_dO[1] = dot(data.xh_unit_vector, diff_data.ddz_dbeta)
- data.ddz_dO[2] = dot(data.xh_unit_vector, diff_data.ddz_dgamma)
+ data.ddz_dO[1] = dot(data.unit_vector, diff_data.ddz_dbeta)
+ data.ddz_dO[2] = dot(data.unit_vector, diff_data.ddz_dgamma)
@@ -581,20 +581,20 @@
# Direction cosine Hessians
###########################
- data.d2dx_dO2[0, 0] = dot(data.xh_unit_vector, diff_data.d2dx_dalpha2)
- data.d2dx_dO2[0, 1] = data.d2dx_dO2[1, 0] = dot(data.xh_unit_vector, diff_data.d2dx_dalpha_dbeta)
- data.d2dx_dO2[0, 2] = data.d2dx_dO2[2, 0] = dot(data.xh_unit_vector, diff_data.d2dx_dalpha_dgamma)
- data.d2dx_dO2[1, 1] = dot(data.xh_unit_vector, diff_data.d2dx_dbeta2)
- data.d2dx_dO2[1, 2] = data.d2dx_dO2[2, 1] = dot(data.xh_unit_vector, diff_data.d2dx_dbeta_dgamma)
- data.d2dx_dO2[2, 2] = dot(data.xh_unit_vector, diff_data.d2dx_dgamma2)
-
- data.d2dy_dO2[0, 0] = dot(data.xh_unit_vector, diff_data.d2dy_dalpha2)
- data.d2dy_dO2[0, 1] = data.d2dy_dO2[1, 0] = dot(data.xh_unit_vector, diff_data.d2dy_dalpha_dbeta)
- data.d2dy_dO2[0, 2] = data.d2dy_dO2[2, 0] = dot(data.xh_unit_vector, diff_data.d2dy_dalpha_dgamma)
- data.d2dy_dO2[1, 1] = dot(data.xh_unit_vector, diff_data.d2dy_dbeta2)
- data.d2dy_dO2[1, 2] = data.d2dy_dO2[2, 1] = dot(data.xh_unit_vector, diff_data.d2dy_dbeta_dgamma)
- data.d2dy_dO2[2, 2] = dot(data.xh_unit_vector, diff_data.d2dy_dgamma2)
-
- data.d2dz_dO2[1, 1] = dot(data.xh_unit_vector, diff_data.d2dz_dbeta2)
- data.d2dz_dO2[1, 2] = data.d2dz_dO2[2, 1] = dot(data.xh_unit_vector, diff_data.d2dz_dbeta_dgamma)
- data.d2dz_dO2[2, 2] = dot(data.xh_unit_vector, diff_data.d2dz_dgamma2)
+ data.d2dx_dO2[0, 0] = dot(data.unit_vector, diff_data.d2dx_dalpha2)
+ data.d2dx_dO2[0, 1] = data.d2dx_dO2[1, 0] = dot(data.unit_vector, diff_data.d2dx_dalpha_dbeta)
+ data.d2dx_dO2[0, 2] = data.d2dx_dO2[2, 0] = dot(data.unit_vector, diff_data.d2dx_dalpha_dgamma)
+ data.d2dx_dO2[1, 1] = dot(data.unit_vector, diff_data.d2dx_dbeta2)
+ data.d2dx_dO2[1, 2] = data.d2dx_dO2[2, 1] = dot(data.unit_vector, diff_data.d2dx_dbeta_dgamma)
+ data.d2dx_dO2[2, 2] = dot(data.unit_vector, diff_data.d2dx_dgamma2)
+
+ data.d2dy_dO2[0, 0] = dot(data.unit_vector, diff_data.d2dy_dalpha2)
+ data.d2dy_dO2[0, 1] = data.d2dy_dO2[1, 0] = dot(data.unit_vector, diff_data.d2dy_dalpha_dbeta)
+ data.d2dy_dO2[0, 2] = data.d2dy_dO2[2, 0] = dot(data.unit_vector, diff_data.d2dy_dalpha_dgamma)
+ data.d2dy_dO2[1, 1] = dot(data.unit_vector, diff_data.d2dy_dbeta2)
+ data.d2dy_dO2[1, 2] = data.d2dy_dO2[2, 1] = dot(data.unit_vector, diff_data.d2dy_dbeta_dgamma)
+ data.d2dy_dO2[2, 2] = dot(data.unit_vector, diff_data.d2dy_dgamma2)
+
+ data.d2dz_dO2[1, 1] = dot(data.unit_vector, diff_data.d2dz_dbeta2)
+ data.d2dz_dO2[1, 2] = data.d2dz_dO2[2, 1] = dot(data.unit_vector, diff_data.d2dz_dbeta_dgamma)
+ data.d2dz_dO2[2, 2] = dot(data.unit_vector, diff_data.d2dz_dgamma2)
diff -ur cst_orig/maths_fns/mf.py cst/maths_fns/mf.py
--- cst_orig/maths_fns/mf.py 2010-03-30 20:13:34.000000000 +0200
+++ cst/maths_fns/mf.py 2010-03-30 21:28:16.000000000 +0200
@@ -397,7 +397,9 @@
# Direction cosine calculations.
if self.diff_data.calc_di:
- self.diff_data.calc_di(data, self.diff_data)
+ # loop over the interactions
+ for i in range(len(data)):
+ self.diff_data.calc_di(data[i], self.diff_data)
# Diffusion tensor weight calculations.
self.diff_data.calc_ci(data, self.diff_data)
@@ -511,7 +513,9 @@
# Direction cosine calculations.
if self.diff_data.calc_di:
- self.diff_data.calc_di(data, self.diff_data)
+ # loop over the interactions
+ for i in range(len(data)):
+ self.diff_data.calc_di(data[i], self.diff_data)
# Diffusion tensor weight calculations.
self.diff_data.calc_ci(data, self.diff_data)
@@ -578,7 +582,9 @@
# Direction cosine calculations.
if self.diff_data.calc_di:
- self.diff_data.calc_di(data, self.diff_data)
+ # loop over the interactions
+ for i in range(len(data)):
+ self.diff_data.calc_di(data[i], self.diff_data)
# Diffusion tensor weight calculations.
self.diff_data.calc_ci(data, self.diff_data)
@@ -766,7 +772,9 @@
# Direction cosine calculations.
if self.diff_data.calc_ddi:
- self.diff_data.calc_ddi(data, self.diff_data)
+ # loop over the interactions
+ for i in range(len(data)):
+ self.diff_data.calc_ddi(data[i], self.diff_data)
# Diffusion tensor weight calculations.
if self.diff_data.calc_dci:
@@ -847,7 +855,9 @@
# Direction cosine calculations.
if self.diff_data.calc_ddi:
- self.diff_data.calc_ddi(data, self.diff_data)
+ # loop over the interactions
+ for i in range(len(data)):
+ self.diff_data.calc_ddi(data[i], self.diff_data)
# Diffusion tensor weight calculations.
if self.diff_data.calc_dci:
@@ -1031,7 +1041,9 @@
# Direction cosine calculations.
if self.diff_data.calc_d2di:
- self.diff_data.calc_d2di(data, self.diff_data)
+ # loop over the interactions
+ for i in range(len(data)):
+ self.diff_data.calc_d2di(data[i], self.diff_data)
# Diffusion tensor weight calculations.
if self.diff_data.calc_d2ci:
@@ -1105,7 +1117,9 @@
# Direction cosine calculations.
if self.diff_data.calc_d2di:
- self.diff_data.calc_d2di(data, self.diff_data)
+ # loop over the interactions
+ for i in range(len(data)):
+ self.diff_data.calc_d2di(data[i], self.diff_data)
# Diffusion tensor weight calculations.
if self.diff_data.calc_d2ci:
Attachment:
patch00001
Description: Binary data
CST branch