# Changeset 990

Ignore:
Timestamp:
Jul 15, 2013 1:47:25 PM (9 years ago)
Message:

mac fix for gltext; update docs

Location:
trunk
Files:
14 edited

Unmodified
Removed
• ## trunk/GSASIIstrMath.py

 r989 def dervRefine(values,HistoPhases,parmDict,varylist,calcControls,pawleyLookup,dlg): 'Needs a doc string' '''Loop over histograms and compute derivatives of the fitting model (M) with respect to all parameters.  Results are returned in a Jacobian matrix (aka design matrix) of dimensions (n by m) where n is the number of parameters and m is the number of data points. This can exceed memory when m gets large. This routine is used when refinement derivatives are selected as "analtytic Jacobian" in Controls. :returns: Jacobian numpy.array dMdv for all histograms concatinated ''' parmDict.update(zip(varylist,values)) G2mv.Dict2Map(parmDict,varylist) def HessRefine(values,HistoPhases,parmDict,varylist,calcControls,pawleyLookup,dlg): '''Loop over histograms and compute derivatives of the fitting model (M) with respect to all parameters.  For each histogram, the Jacobian matrix, dMdv, with dimensions (n by m) where n is the number of parameters and m is the number of data points *in the histogram*. The (n by n) Hessian is computed from each Jacobian and it is returned.  This routine is used when refinement derivatives are selected as "analtytic Hessian" in Controls. :returns: Vec,Hess where Vec is the least-squares vector and Hess is the Hessian ''' 'Needs a doc string' parmDict.update(zip(varylist,values))
• ## trunk/exports/G2cif.py

 r989 s += s1 return s def FormatBackground(bkg): '''Display the Background information as a descriptive text string. TODO: this needs to be expanded to show the diffuse peak and Debye term information as well. :returns: the text description (str) ''' fxn, bkgdict = bkg terms = fxn[2] txt = 'Background function: "'+fxn[0]+'" function with '+str(terms)+' terms:\n' l = "   " for v in fxn[3:]: if len(l) > 60: txt += l + '\n' l = '   ' l += G2mth.ValEsd(v,-.009)+', ' txt += l return txt def FormatInstProfile(instparmdict): refprx = '_refln_' # normal WriteCIFitem('\n# SCATTERING FACTOR INFO') if 'Lam1' in inst: ratio = self.parmDict.get('I(L2)/I(L1)',inst['I(L2)/I(L1)'][1]) ) # this will need help from Bob # TODO: this will need help from Bob # WriteCIFitem('_pd_proc_ls_prof_R_factor','?') # WriteCIFitem('_pd_proc_ls_prof_wR_factor','?') # WriteCIFitem('_refine_ls_R_Fsqd_factor','?') print histblk['Instrument Parameters'][0]['Type'] if histblk['Instrument Parameters'][0]['Type'][1][1] == 'X': WriteCIFitem('_diffrn_radiation_probe','x-ray') pola = histblk['Instrument Parameters'][0].get('Polariz.') if pola: pfx = ':' + str(hId) + ':' sig = self.sigDict.get(pfx+'Polariz.',-0.0009) txt = G2mth.ValEsd(pola[1],sig) WriteCIFitem('_diffrn_radiation_polarisn_ratio',txt) elif histblk['Instrument Parameters'][0]['Type'][1][1] == 'N': WriteCIFitem('_diffrn_radiation_probe','neutron') # TOF (note that this may not be defined) #if histblk['Instrument Parameters'][0]['Type'][1][2] == 'T': #    WriteCIFitem('_pd_meas_2theta_fixed',text) # TODO: this will need help from Bob #if not oneblock: #WriteCIFitem('\n# SCATTERING FACTOR INFO') #WriteCIFitem('loop_  _atom_type_symbol') #if histblk['Instrument Parameters'][0]['Type'][1][1] == 'X': #    WriteCIFitem('      _atom_type_scat_dispersion_real') #    WriteCIFitem('      _atom_type_scat_dispersion_imag') #    for lbl in ('a1','a2','a3', 'a4', 'b1', 'b2', 'b3', 'b4', 'c'): #        WriteCIFitem('      _atom_type_scat_Cromer_Mann_'+lbl) #elif histblk['Instrument Parameters'][0]['Type'][1][1] == 'N': #    WriteCIFitem('      _atom_type_scat_length_neutron') #WriteCIFitem('      _atom_type_scat_source') WriteCIFitem('_pd_proc_ls_background_function',FormatBackground(histblk['Background'])) #WriteCIFitem('_exptl_absorpt_process_details','?') #WriteCIFitem('_exptl_absorpt_correction_T_min','?') #WriteCIFitem('_exptl_absorpt_correction_T_max','?') #C extinction #WRITE(IUCIF,'(A)') '# Extinction correction' #CALL WRVAL(IUCIF,'_gsas_exptl_extinct_corr_T_min',TEXT(1:10)) #CALL WRVAL(IUCIF,'_gsas_exptl_extinct_corr_T_max',TEXT(11:20)) if not oneblock: # instrumental profile terms go here WriteCIFitem('_pd_proc_ls_profile_function','?') raise Exception, "testing" phasenam = self.Phases.keys()[0] for key in self.Phases[phasenam]['Histograms']: print '------------' print self.Phases[phasenam]['Histograms'][key] raise Exception, "testing" print histblk.keys() for key in histblk: #print self.parmDict.keys() #print self.sigDict.keys() #WriteCIFitem('_pd_meas_2theta_fixed',text) WriteCIFitem('_diffrn_radiation_probe','x-ray') WriteCIFitem('_diffrn_radiation_probe','neutron') WriteCIFitem('_diffrn_radiation_polarisn_ratio','?') WriteCIFitem('loop_  _atom_type_symbol') if oneblock: WriteCIFitem('       _atom_type_number_in_cell') #IF (HTYP(2:2) .eq. 'X' .AND. HTYP(3:3) .ne. 'E') THEN WriteCIFitem('      _atom_type_scat_dispersion_real') WriteCIFitem('      _atom_type_scat_dispersion_imag') for lbl in ('a1','a2','a3', 'a4', 'b1', 'b2', 'b3', 'b4', 'c'): WriteCIFitem('      _atom_type_scat_Cromer_Mann_'+lbl) #ELSEIF (HTYP(2:2) .eq. 'N') THEN WriteCIFitem('      _atom_type_scat_length_neutron') #ENDIF WriteCIFitem('      _atom_type_scat_source') #C document the background function used WriteCIFitem('_pd_proc_ls_background_function','?') WriteCIFitem('_exptl_absorpt_process_details','?') WriteCIFitem('_exptl_absorpt_correction_T_min','?') WriteCIFitem('_exptl_absorpt_correction_T_max','?') #C extinction #WRITE(IUCIF,'(A)') '# Extinction correction' #CALL WRVAL(IUCIF,'_gsas_exptl_extinct_corr_T_min',TEXT(1:10)) #CALL WRVAL(IUCIF,'_gsas_exptl_extinct_corr_T_max',TEXT(11:20)) if not oneblock: # instrumental profile terms go here WriteCIFitem('_pd_proc_ls_profile_function','?') #print 'Data'
• ## trunk/gltext.py

 r987 texture. If you see any optimizations that could save time PLEASE CREATE A PATCH!!! """ # get a memory dc # get a memory dc and assign a temporary bitmap dc = wx.MemoryDC() dc.SelectObject(wx.EmptyBitmap(100, 100)) # set our font
• ## trunk/sphinxdocs/build/html/GSASII.html

 r957
GSASII.OnFileOpen(event)[source]Â¶
GSASII.OnFileOpen(event, filename=None)[source]Â¶

Reads in a GSAS-II .gpx project file in response to the File/Open Project menu button

Creates a wx frame (self.main) which contains the display of the data tree.

MacOpenFile(filename)Â¶

Called on Mac every time a file is dropped on the app when it is running, treat this like a File/Open project menu action. Should be ignored on other platforms

• ## trunk/sphinxdocs/build/html/GSASIIGUIr.html

 r957
OnSelectVersion(event)Â¶

Allow the user to select a specific version of GSAS-II

class GSASIIgrid.downdate(parent=None)Â¶

Dialog to allow a user to select a version of GSAS-II to install

getVersion()Â¶

Get the version number in the dialog

• ## trunk/sphinxdocs/build/html/GSASIImapvars.html

 r957
• derivDict (dict) – a dict containing derivatives for parameter values keyed by the parameter names.
• dMdv (dict) – a dict containing derivatives for dependent parameter computed from derivDict
• dMdv (list) – a Jacobian, as a list of np.array containing derivatives for dependent parameter computed from derivDict
• ## trunk/sphinxdocs/build/html/GSASIImath.html

 r957
GSASIImath.HessianLSQ(func, x0, Hess, args=(), ftol=1.49012e-08, xtol=1.49012e-08, maxcyc=0)[source]Â¶
GSASIImath.HessianLSQ(func, x0, Hess, args=(), ftol=1.49012e-08, xtol=1.49012e-08, maxcyc=0, Print=False)[source]Â¶

Minimize the sum of squares of a function ($$f$$) evaluated on a series of values (y): $$\sum_{y=0}^{N_{obs}} f(y,{args})$$

• maxcyc (int) – The maximum number of cycles of refinement to execute, if -1 refine until other limits are met (ftol, xtol)
• Print (bool) – True for printing results (residuals & times) by cycle
• ## trunk/sphinxdocs/build/html/GSASIIobj.html

 r957

Phase Tree ItemÂ¶

Phase Tree ItemsÂ¶

Phase information is stored in the GSAS-II data tree as children of the Phases item in a dict with keys:

Asymmetric unit coordinates [X is (x,y,z)] are transformed using $$X\prime = M_n*X+T_n$$$$X^\prime = M_n*X+T_n$$

Atom RecordsÂ¶

If phasedict points to the phase information in the data tree, then atoms are contained in a list of atom records (list) in phasedict['Atoms']. Also needed to read atom information are four pointers, cx,ct,cs,cia = phasedict['General']['AtomPtrs'], which define locations in the atom record, as shown below.

Powder Diffraction Tree ItemsÂ¶

Every powder diffraction histogram is stored in the GSAS-II data tree with a top-level entry named beginning with the string “PWDR ”. The diffraction data for that information are directly associated with that tree item and there are a series of children to that item. The routine GetUsedHistogramsAndPhasesfromTree() will load this information into a dictionary where the child tree name is used as a key, and the information in the main entry is assigned a key of Data, as outlined below.

Powder Reflection Data StructureÂ¶

For every phase in a histogram, the Reflection Lists value is a list of reflections. The items in that list are documented below.

AtomPtrs ? (list) list of four locations to use to pull info from the atom records (list)
Atoms in phase as a list of lists. The outer list is for each atom, the inner list contains 18 items: 0) atom label, 1) the atom type, 2) the refinement flags, 3-6) x, y, z, frac 7) site symmetry, 8) site multiplicity, 9) ‘I’ or ‘A’ for iso/anisotropic, 10) Uiso, 10-16) Uij, 16) unique Id #. is for each atom, the inner list contains varying items depending on the type of phase, see the Atom Records description. (list of lists)
SGSys
location explanation
cx,cx+1,cx+2 the x,y and z coordinates
cx+3 fractional occupancy (also cs-1)
ct-1 atom label
ct atom type
ct+1 refinement flags
cs site symmetry string
cs+1 site multiplicity
cia ADP flag: Isotropic (‘I’) or Anisotropic (‘A’)
cia+1 Uiso
cia+2...cia+6 U11, U22, U33, U12, U13, U23
key sub-key explanation
Limits A list of two two element lists, as [[Ld,Hd],[L,H]] where L and Ld are the current and default lowest two-theta value to be used and where H and Hd are the current and default highest two-theta value to be used.
Reflection Lists A dict with an entry for each phase in the histogram. The contents of each dict item is a list or reflections as described in the Powder Reflections description.
Instrument Parameters A list containing two dicts where the possible keys in each dict are listed below. The value for each item is a list containing three values: the initial value, the current value and a refinement flag which can have a value of True, False or 0 where 0 indicates a value that cannot be refined. The first and second values are floats unless otherwise noted. Items in the first dict are noted as [1]
Lam Specifies a wavelength in Angstroms [1]
Lam1 Specifies the primary wavelength in Angstrom, when an alpha1, alpha2 source is used [1]

Lam2

I(L2)/I(L1)

Specifies the secondary wavelength in Angstrom, when an alpha1, alpha2 source is used [1] Ratio of Lam2 to Lam1 [1]
Type
Histogram type (str) [1]:
• ‘PXC’ for constant wavelength x-ray
• ‘PNC’ for constant wavelength neutron
• ‘PNT’ for time of flight neutron
Zero Two-theta zero correction in degrees [1]
Azimuth Azimuthal setting angle for data recorded with differing setting angles [1]
U, V, W Cagliotti profile coefficients for Gaussian instrumental broadening, where the FWHM goes as $$U \tan^2\theta + V \tan\theta + W$$ [1]
X, Y Cauchy (Lorentzian) instrumental broadening coefficients [1]
SH/L Variant of the Finger-Cox-Jephcoat asymmetric peak broadening ratio. Note that this is the average between S/L and H/L where S is sample height, H is the slit height and L is the goniometer diameter. [1]
Polariz. Polarization coefficient. [1]
wtFactor A weighting factor to increase or decrease the leverage of data in the histogram (float). A value of 1.0 weights the data with their standard uncertainties and a larger value increases the weighting of the data (equivalent to decreasing the uncertainties).
Sample Parameters Specifies a dict with parameters that describe how the data were collected, as listed below. Refinable parameters are a list containing a float and a bool, where the second value specifies if the value is refined, otherwise the value is a float unless otherwise noted.
Scale The histogram scale factor (refinable)
Absorption The sample absorption coefficient as $$\mu r$$ where r is the radius (refinable).
DisplaceX, DisplaceY Sample displacement from goniometer center where Y is along the beam direction and X is perpendicular. Units are $$\mu m$$ (refinable).
Phi, Chi, Omega Goniometer sample setting angles, in degrees.
InstrName A name for the instrument, used in preparing a CIF (str).
Force, Temperature, Humidity, Pressure, Voltage Variables that describe how the measurement was performed. Not used directly in any computations.
ranId The random-number Id for the histogram (same value as where top-level key is ranId)
Type Type of diffraction data, may be ‘Debye-Scherrer’ or ‘Bragg-Brentano’ (str).
Diffuse not in use?
hId The number assigned to the histogram when the project is loaded or edited (can change)
ranId A random number id for the histogram that does not change
Background The background is stored as a list with where the first item in the list is list and the second item is a dict. The list contains the background function and its coefficients; the dict contains Debye diffuse terms and background peaks. (TODO: this needs to be expanded.)
Data

The data consist of a list of 6 np.arrays containing in order:

1. the x-postions (two-theta in degrees),
2. the intensity values (Yobs),
3. the weights for each Yobs value
4. the computed intensity values (Ycalc)
5. the background values
6. Yobs-Ycalc
index explanation
0,1,2 h,k,l (float)
3 multiplicity
4 d-space, Angstrom
5 pos, two-theta
6 sig, Gaussian width
7 gam, Lorenzian width
8 Fobs**2
9 Fcalc**2
10 reflection phase, in degrees
11 the equivalent reflections as a (m x 3) np.array, where m is 0.5 * multiplicity. Note that Freidel pairs, (-h,-k-,l), are not included.
12 phase shift for each of the equivalent reflections as a length (m) array
13 intensity correction for reflection, this times Fobs**2 or Fcalc**2 gives Iobs or Icalc
14 dict with the form factor (f or b) by atom type symbol at the reflection position.
• ## trunk/sphinxdocs/build/html/GSASIIstruc.html

 r957
GSASIIstrMath.HessRefine(values, HistoPhases, parmDict, varylist, calcControls, pawleyLookup, dlg)[source]Â¶

Needs a doc string

Loop over histograms and compute derivatives of the fitting model (M) with respect to all parameters.  For each histogram, the Jacobian matrix, dMdv, with dimensions (n by m) where n is the number of parameters and m is the number of data points in the histogram. The (n by n) Hessian is computed from each Jacobian and it is returned.  This routine is used when refinement derivatives are selected as “analtytic Hessian” in Controls.

GSASIIstrMath.dervRefine(values, HistoPhases, parmDict, varylist, calcControls, pawleyLookup, dlg)[source]Â¶

Needs a doc string

Loop over histograms and compute derivatives of the fitting model (M) with respect to all parameters.  Results are returned in a Jacobian matrix (aka design matrix) of dimensions (n by m) where n is the number of parameters and m is the number of data points. This can exceed memory when m gets large. This routine is used when refinement derivatives are selected as “analtytic Jacobian” in Controls.

GSASIIstrIO.GetHistogramPhaseData(Phases, Histograms, Print=True, pFile=None)[source]Â¶

needs a doc string

GSASIIstrIO.GetHistogramPhaseData(Phases, Histograms, Print=True, pFile=None, resetRefList=True)[source]Â¶

Loads the HAP histogram/phase information into dicts

GSASIIstrIO.ProcessConstraints(constList)[source]Â¶

interpret constraints

Interpret the constraints in the constList input into a dictionary, etc.

GSASIIstrIO.cellFill(pfx, SGData, parmDict, sigDict)[source]Â¶

needs a doc string

Returns the filled-out reciprocal cell (A) terms and their uncertainties from the parameter and sig dictionaries.

Returns:Vec,Hess where Vec is the least-squares vector and Hess is the Hessian
Returns:Jacobian numpy.array dMdv for all histograms concatinated
Parameters:
• Phases (dict) – phase information
• Histograms (dict) – Histogram information
• Print (bool) – prints information as it is read
• pFile (file) – file object to print to (the default, None causes printing to the console)
• resetRefList (bool) – Should the contents of the Reflection List be initialized on loading. The default, True, initializes the Reflection List as it is loaded.
Returns:

(hapVary,hapDict,controlDict) * hapVary: list of refined variables * hapDict: dict with refined variables and their values * controlDict: dict with computation controls (?)

Parameters:constList (list) –

a list of lists where each item in the outer list specifies a constraint of some form. The last item in each inner list determines which of the four constraints types has been input:

• h (hold): a single variable that will not be varied. It will be removed from the varyList later.
• c (constraint): specifies a linear relationship that can be varied as a new grouped variable a fixed value.
• f (fixed): specifies a linear relationship that is assigned a fixed value.
• e (equivalence): specifies a series of variables where the first variable in the last can be used to generate the values for all the remaining variables.
Returns:a tuple of (constDict,fixedList,ignored) where:
• constDict (list) contains the constraint relationships
• fixedList (list) contains the fixed values for type of constraint.
• ignored (int) counts the number of invalid constraint items (should always be zero!)
Parameters:
• pfx (str) – parameter prefix (“n::”, where n is a phase number)
• SGdata (dict) – a symmetry object
• parmDict (dict) – a dictionary of parameters
• sigDict (dict) – a dictionary of uncertainties on parameters
Returns:

A,sigA where each is a list of six terms with the A terms

• ## trunk/sphinxdocs/build/html/GSASIIutil.html

 r957

Place GSASIIpath.SetVersionNumber("$Revision: 939$") in every python

Place GSASIIpath.SetVersionNumber("$Revision: 989$") in every python file.

GSASIIpath.svnGetLog(fpath='/Users/toby/software/G2/GSASII', version=None)Â¶

GSASIIpath.svnGetRev(fpath='/Users/toby/software/G2/GSASII', local=True)[source]Â¶

This obtains the version number for the either the latest local last update

Obtain the version number for the either the last update of the local version or contacts the subversion server to get the latest update version (# of Head).

Parameters:RevString (str) – something like “$Revision: 939$”
Parameters:RevString (str) – something like “$Revision: 989$” that is set by subversion when the file is retrieved from subversion.
Parameters:
• fpath (str) – path to repository dictionary, defaults to directory where the current file is located.
• version (int) – the version number to be looked up or None (default) for the latest version.
Returns:

a dictionary with keys (one hopes) ‘author’, ‘date’, ‘msg’, and ‘revision’

Parameters:
• fpath – path to repository dictionary, defaults to directory where
• fpath (str) – path to repository dictionary, defaults to directory where the current file is located
• local – determines the type of version number, where
• local (bool) – determines the type of version number, where True (default): returns the latest installed update False: returns the version number of Head on the server
• GSASIIpath.svnUpdateDir(fpath='/Users/toby/software/G2/GSASII')[source]Â¶
GSASIIpath.svnUpdateDir(fpath='/Users/toby/software/G2/GSASII', version=None)[source]Â¶

This performs an update of the files in a local directory from a server.

GSASIIElem.getFFvalues(FFtables, SQ)[source]Â¶
GSASIIElem.getFFvalues(FFtables, SQ, ifList=False)[source]Â¶

Needs a doc string

GSASIIlattice: Unit cellsÂ¶

Perform lattice-related computations

Note that g is the reciprocal lattice tensor, and G is its inverse, $$G = g^{-1}$$, where

$\begin{split}G = \left( \begin{matrix} a^2 & a b\cos\gamma & a c\cos\beta \\ a b\cos\gamma & b^2 & b c \cos\alpha \\ a c\cos\beta & b c \cos\alpha & c^2 \end{matrix}\right)\end{split}$

The “A tensor” terms are defined as $$A = (\begin{matrix} G_{11} & G_{22} & G_{33} & 2G_{12} & 2G_{13} & 2G_{23}\end{matrix})$$ and A can be used in this fashion: $$d^* = \sqrt {A_1 h^2 + A_2 k^2 + A_3 l^2 + A_4 hk + A_5 hl + A_6 kl}$$, where d is the d-spacing, and $$d^*$$ is the reciprocal lattice spacing, $$Q = 2 \pi d^* = 2 \pi / d$$

GSASIIlattice.A2Gmat(A, inverse=True)[source]Â¶

Fill real & reciprocal metric tensor (G) from A

Fill real & reciprocal metric tensor (G) from A.

Parameters:fpath – path to repository dictionary, defaults to directory where the current file is located
Returns:A dictionary with the files that have been changed/added and a code describing how they have been updated (see changetype) ro
Parameters:
• fpath (str) – path to repository dictionary, defaults to directory where the current file is located
• version – the number of the version to be loaded. Used only cast as a string, but should be an integer or something that corresponds to a string representation of an integer value when cast. A value of None (default) causes the latest version on the server to be used.
Returns:

A dictionary with the files that have been changed/added and a code describing how they have been updated (see changetype) or None if there is a subversion error (likely because the path is not a repository or svn is not found)

Returns:None if svn is not found or an absolute path to the subversion executable file.
GSASIIlattice.Uij2Ueqv(Uij, GS, Amat)Â¶

returns 1/3 trace of diagonalized U matrix

GSASIIlattice.Uij2betaij(Uij, G)[source]Â¶
GSASIIlattice.cell2GS(cell)Â¶

returns Uij to betaij conversion matrix

GSASIIlattice.cell2Gmat(cell)[source]Â¶
GSASIIlattice.selftestlist = [<function test0 at 0x17e346f0>, <function test1 at 0x17e34730>, <function test2 at 0x17e34770>, <function test3 at 0x17e347b0>, <function test4 at 0x17e347f0>, <function test5 at 0x17e34830>, <function test6 at 0x17e34870>, <function test7 at 0x17e348b0>, <function test8 at 0x17e348f0>, <function test9 at 0x17e34930>]Â¶
GSASIIlattice.selftestlist = [<function test0 at 0x279ea70>, <function test1 at 0x279eab0>, <function test2 at 0x279eaf0>, <function test3 at 0x279eb30>, <function test4 at 0x279eb70>, <function test5 at 0x279ebb0>, <function test6 at 0x279ebf0>, <function test7 at 0x279ec30>, <function test8 at 0x279ec70>, <function test9 at 0x279ecb0>]Â¶

Defines a list of self-tests

GSASIIspc.AllOps(SGData)Â¶

Returns a list of all operators for a space group, including those for centering and a center of symmetry

Returns a list of all operators for a space group, including those for centering and a center of symmetry

Parameters:SGData – from SpcGroup()
Returns:list of strings of formatted symmetry operators
Returns:(SGTextList,offsetList,symOpList,G2oprList) where
• SGTextList: a list of strings with formatted and normalized symmetry operators.
• offsetList: a tuple of (dx,dy,dz) offsets that relate the GSAS-II symmetry operation to the operator in SGTextList and symOpList. these dx (etc.) values are added to the GSAS-II generated positions to provide the positions that are generated by the normalized symmetry operators.
• symOpList: a list of tuples with the normalized symmetry operations as (M,T) values (see SGOps in the Space Group object)
• G2oprList: The GSAS-II operations for each symmetry operation as a tuple with (center,mult,opnum), where center is (0,0,0), (0.5,0,0), (0.5,0.5,0.5),...; where mult is 1 or -1 for the center of symmetry and opnum is the number for the symmetry operation, in SGOps (starting with 0).
Returns:

iabsnt,mulp,Uniq,phi

• iabsnt = True is reflection is forbidden by symmetry
• iabsnt = True if reflection is forbidden by symmetry
• mulp = reflection multiplicity including Friedel pairs
• Uniq = numpy array of equivalent hkl in descending order of h,k,l
• GSASIIspc.selftestlist = [<function test0 at 0x17e36430>, <function test1 at 0x17e36630>, <function test2 at 0x17e36530>, <function test3 at 0x17e364b0>]Â¶
GSASIIspc.selftestlist = [<function test0 at 0x27b6630>, <function test1 at 0x27b6670>, <function test2 at 0x27b66b0>, <function test3 at 0x27b66f0>]Â¶

Defines a list of self-tests

• ## trunk/sphinxdocs/build/html/genindex.html

 r957
Atoms record description
AtomTLS2UIJ() (in module GSASIImath)
cell2Gmat() (in module GSASIIlattice)
cell2GS() (in module GSASIIlattice)
Atoms record
Constraint Definition
Powder Data
Powder Reflections
SGData
Dict2Values() (in module GSASIIpwd)
DisAglDialog (class in GSASIIgrid)
DoPeakFit() (in module GSASIIpwd)
downdate (class in GSASIIgrid)
getPeakProfileDerv() (in module GSASIIpwd)
GetPhaseData() (GSASII.GSASII method)
getVersion() (GSASIIgrid.downdate method)
GetVersionNumber() (in module GSASIIpath)
MacOpenFile() (GSASII.GSASIImain method)
main() (in module GSASII)
OnSelectVersion() (GSASIIgrid.MyHelp method)
OnSeqRefine() (GSASII.GSASII method)
PlotSizeStrainPO() (in module GSASIIplot)
PlotSngl() (in module GSASIIplot)
Powder data object description
Powder reflection object description
ShowBanner() (in module GSASIIsolve)
ShowControls() (in module GSASIIsolve)
svnGetLog() (in module GSASIIpath)
svnGetRev() (in module GSASIIpath)
Uij2betaij() (in module GSASIIlattice)
Uij2Ueqv() (in module GSASIIlattice)
• ## trunk/sphinxdocs/build/html/index.html

 r957
• Constraints Tree Item
• Covariance Tree Item
• Phase Tree Item
• Phase Tree Items
• Space Group Objects
• Atom Records
• Powder Diffraction Tree Items
• Powder Reflection Data Structure
• Classes and routines