Changeset b12404e in sasview for src/sas/qtgui/Calculators

Timestamp:

May 16, 2018 3:41:14 AM (6 years ago)

Author:

celinedurniak <celine.durniak@…>

Branches:

ESS_GUI, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc

Children:

2e27cdb6

Parents:

d3b57a0 (diff), 2f539b2 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'ESS_GUI_doc_GenericSANS' into ESS_GUI

Location:

src/sas/qtgui/Calculators

Files:

• media/gen_gui_help.png (modified) (1 prop) (previous)
• media/pdb_combo.png (added)
• media/sas_calculator_help.rst (modified) (8 diffs)
• DensityPanel.py (modified) (4 diffs)
• UnitTesting/DensityCalculatorTest.py (modified) (3 diffs)
• media/data_oper_pic.png (modified) (1 prop) (previous)
• media/density_calculator_help.rst (modified) (1 diff)
• media/density_tutor.png (modified) (1 prop) (previous)

src/sas/qtgui/Calculators/media/sas_calculator_help.rst

@@ -24 +24 @@
 
 Assuming that all the pixel sizes are the same, the elastic scattering
-intensity from the particle is
+intensity from the particle is defined as
 
 .. image:: gen_i.png
@@ -33 +33 @@
 the position of the $j^\text{th}$ pixel respectively.
 
-The total volume $V$
+The total volume $V$ is equal to
 
 .. math::
@@ -43 +43 @@
 density * Avogadro number) for the atomic structures).
 
-$V$ can be corrected by users. This correction is useful especially for an
-atomic structure (such as taken from a PDB file) to get the right normalization.
-
-*NOTE! $\beta_j$ displayed in the GUI may be incorrect but this will not
-affect the scattering computation if the correction of the total volume V is made.*
+$V$ can be corrected by users (input parameter `Total volume`). This correction
+is useful especially for an atomic structure (such as taken from a PDB file)
+to get the right normalization.
+
+*NOTE! $\beta_j$ displayed in the GUI may be incorrect (input parameter
+`solvent_SLD`) but this will not affect the scattering computation if the
+correction of the total volume V is made.*
 
 The scattering length density (SLD) of each pixel, where the SLD is uniform, is
@@ -99 +101 @@
 .. image:: mxp.png
 
+
+
 .. image:: myp.png
 
+
+
 .. image:: mzp.png
 
+
+
 .. image:: mqx.png
 
+
+
 .. image:: mqy.png
 
-Here the $M0_x$, $M0_y$ and $M0_z$ are the $x$, $y$ and $z$
+Here the $M_{0x}$, $M_{0y}$ and $M_{0z}$ are the $x$, $y$ and $z$
 components of the magnetisation vector in the laboratory $xyz$ frame.
+
+
+.. .. image:: Mxyzp.png
+
 
 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
@@ -115 +129 @@
 --------------
 
-.. image:: gen_gui_help.png
-
-After computation the result will appear in the *Theory* box in the SasView
+.. figure:: gen_gui_help.png
+
+   ..
+
+   1) Load .sld, .txt, or .omf datafile
+   2) Select default shape of sample
+   3) Draw magnetization with arrows (not recommended for a large number of
+      pixels).
+   4) Ratio of (+/total) neutrons after analyser
+   5) Ratio of (+/total) neutrons before sample
+   6) Polarization angle in degrees
+   7) Default volume calculated from the pixel info
+      (or natural density of pdf file)
+   8) Compute the scattering pattern
+   9) Reset GUI to initial state
+   10) Display mean values or enter a new value if enabled
+   11) Save the sld data as sld format
+
+.. After computation the result will appear in the *Theory* box in the SasView
 *Data Explorer* panel.
 
@@ -126 +156 @@
 of neutrons before the sample and at the analyzer, respectively.
 
-*NOTE 1. The values of* Up_frac_in *and* Up_frac_out *must be in the range
+*NOTE 1. The values of Up_frac_in and Up_frac_out must be in the range
 0.0 to 1.0. Both values are 0.5 for unpolarized neutrons.*
 
@@ -133 +163 @@
 
 *NOTE 3. For the nuclear scattering length density, only the real component
-is taken account.*
+is taken into account.*
 
 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
@@ -151 +181 @@
 
 where $v_j \beta_j \equiv b_j$ is the scattering
-length of the $j^\text{th}$ atom. The calculation output is passed to the *Data Explorer*
+length of the $j^\text{th}$ atom.
+.. The calculation output is passed to the *Data Explorer*
 for further use.
 
-.. image:: pdb_combo.jpg
+.. figure:: pdb_combo.png
+
+   ..
+
+   1) PDB file loaded
+   2) disabled input for *Up_frac_in*, *Up_frac_oupt*, *Up_theta*
+   3) option to perform the calculations using "Fixed orientations" (2D output)
+      or "Averaging over all orientations using Debye equation" (1D output).
+      This choice is only available for PDB files.
+
+
 
 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ

src/sas/qtgui/Calculators/DensityPanel.py

@@ -16 +16 @@
 
 from sas.qtgui.Utilities.GuiUtils import enum
+from sas.qtgui.Utilities.GuiUtils import formatNumber
 
 MODEL = enum(
@@ -98 +99 @@
             if index == MODEL.MOLECULAR_FORMULA:
                 molarMass = toMolarMass(self.model.item(MODEL.MOLECULAR_FORMULA).text())
+                molarMass = formatNumber(molarMass, high=True)
                 self.model.item(MODEL.MOLAR_MASS).setText(molarMass)
 
@@ -120 +122 @@
 
             molarDensity = molarMass / molarVolume
+            molarDensity = formatNumber(molarDensity, high=True)
             self.model.item(MODEL.MASS_DENSITY).setText(str(molarDensity))
 
@@ -131 +134 @@
 
             molarVolume = molarMass / molarDensity
+            molarVolume = formatNumber(molarVolume, high=True)
             self.model.item(MODEL.MOLAR_VOLUME).setText(str(molarVolume))
 

src/sas/qtgui/Calculators/UnitTesting/DensityCalculatorTest.py

@@ -78 +78 @@
 
         # Assure the mass density field is set
-        self.assertEqual(self.widget.ui.editMassDensity.text(), '18.0153')
+        self.assertEqual(self.widget.ui.editMassDensity.text(), '18.015')
 
         # Change mass density
@@ -88 +88 @@
 
         # Assure the molar volume field got updated
-        self.assertEqual(self.widget.ui.editMolarVolume.text(), '1.12595625')
+        self.assertEqual(self.widget.ui.editMolarVolume.text(), '1.126')
 
     def testComplexEntryAndReset(self):
@@ -113 +113 @@
 
         self.assertEqual(self.widget.ui.editMolecularFormula.text(), "H2O")
-        self.assertEqual(self.widget.ui.editMolarMass.text(), "18.0153")
+        self.assertEqual(self.widget.ui.editMolarMass.text(), "18.015")
         self.assertEqual(self.widget.ui.editMolarVolume.text(), "")
         self.assertEqual(self.widget.ui.editMassDensity.text(), "")

src/sas/qtgui/Calculators/media/density_calculator_help.rst

@@ -27 +27 @@
    then type in an input value.
 
-4) Click the 'Calculate' button to perform the calculation.
+4) Press Tab button or click out to perform the calculation.
 
 .. image:: density_tutor.png