Changeset 946


Ignore:
Timestamp:
Jun 11, 2013 10:08:43 AM (8 years ago)
Author:
toby
Message:

update self-docs, start work on constraints object

Location:
trunk
Files:
1 added
14 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIphsGUI.py

    r942 r946  
    1414Module to create the GUI for display of phase information
    1515in the data display window when a phase is selected.
    16 (pages displayed in response to some phase tabs are done in other modules,
    17 such as GSASIIddata.)
    18 
    19 Phase information is stored in the GSAS-II data tree as children of the
    20 Phases item in a dict with keys:
    21 
    22 .. tabularcolumns:: |l|l|p{4in}|
    23 
    24 ==========  ===============  ====================================================
    25   key         sub-key        explaination
    26 ==========  ===============  ====================================================
    27 General         \            Overall information for the phase (dict)
    28   \         AtomPtrs         ? (list)
    29   \         F000X            x-ray F(000) intensity (float)
    30   \         F000N            neutron F(000) intensity (float)
    31   \         Mydir            directory of current .gpx file (str)
    32   \         MCSA controls    ?
    33   \         Cell             List with 7 items: cell refinement flag (bool)
    34                              a, b, c, (Angstrom, float)
    35                              alpha, beta & gamma (degrees, float)
    36   \         Type             for now 'nuclear' (str)
    37   \         Map              dict of map parameters
    38   \         SH Texture       dict of spherical harmonic preferred orientation
    39                              parameters
    40   \         Isotope          dict of isotopes for each atom type
    41   \         Isotopes         dict of scattering lengths for each isotope
    42                              combination for each element in phase 
    43   \         Name             phase name (str)
    44   \         SGData           Space group details,
    45                              as defined in :mod:`GSASIIspc`
    46   \         Pawley neg wt    Restraint value for negative Pawley intensities
    47                              (float)
    48   \         Flip             Charge flip controls dict?
    49   \         Data plot type   ?
    50   \         Mass             Mass of unit cell contents in g/mm**3
    51   \         POhkl            March-Dollase preferred orientation direction
    52   \         Z                ?
    53   \         vdWRadii         ?
    54   \         Color            Colors for atoms (list of (r,b,g) triplets)
    55   \         AtomTypes        List of atom types
    56   \         AtomMass         List of masses for atoms
    57   \         doPawley         Flag for Pawley intensity extraction (bool)
    58   \         NoAtoms          Number of atoms per unit cell of each type (dict)
    59   \         Pawley dmin      maximum Q (as d-space) to use for Pawley
    60                              extraction (float)
    61   \         BondRadii        Radius for each atom used to compute
    62                              interatomic distances (list of floats)
    63   \         AngleRadii       Radius for each atom used to compute
    64                              interatomic angles (list of floats)
    65 ranId           \            unique random number Id for phase (int)
    66 pId             \            ? (int)
    67 Atoms           \            Atoms in phase as a list of lists. The outer list
    68                              is for each atom, the inner list contains 18
    69                              items:
    70                              0) atom label, 1) the atom type,
    71                              2) the refinement flags, 3-6) x, y, z, frac
    72                              7) site symmetry, 8) site multiplicity,
    73                              9) 'I' or 'A' for iso/anisotropic,
    74                              10) Uiso, 10-16) Uij, 16) unique Id #.
    75                              (list of lists)
    76 Drawing         \            Display parameters (dict)
    77 \           ballScale        Size of spheres in ball-and-stick display (float)
    78 \           bondList         dict with bonds
    79 \           contourLevel     ? (float)
    80 \           showABC          Flag to show view point triplet (bool). True=show.
    81 \           viewDir          cartesian viewing direction (np.array with three
    82                              elements)
    83 \           Zclip            clipping distance in A (float)
    84 \           backColor        background for plot as and R,G,B triplet
    85                              (default = [0, 0, 0], black).
    86                              (list with three atoms)
    87 \           selectedAtoms    List of selected atoms (list of int values)
    88 \           showRigidBodies  Flag to highlight rigid body placement
    89 \           sizeH            Size ratio for H atoms (float)
    90 \           bondRadius       Size of binds in A (float)
    91 \           atomPtrs         ? (list)
    92 \           viewPoint        list of lists. First item in list is [x,y,z]
    93                              in fractional coordinates for the center of
    94                              the plot. Second item ?.
    95 \           showHydrogen     Flag to control plotting of H atoms.
    96 \           unitCellBox      Flag to control display of the unit cell.
    97 \           ellipseProb      Probability limit for display of thermal
    98                              ellipsoids in % (float).
    99 \           vdwScale         Multiplier of van der Waals radius for
    100                              display of vdW spheres.
    101 \           Atoms            A list of lists with an entry for each atom
    102                              that is plotted.
    103 \           Zstep            Step to de/increase Z-clip (float)
    104 \           Quaternion       Viewing quaternion (4 element np.array)
    105 \           radiusFactor     Distance ratio for searching for bonds. ? Bonds
    106                              are located that are within r(Ra+Rb) and (Ra+Rb)/r
    107                              where Ra and Rb are the atomic radii.
    108 \           oldxy            ? (list with two floats)
    109 \           cameraPos        Viewing position in A for plot (float)
    110 \           depthFog         ? (bool)
    111 RBModels        \            Rigid body assignments (note Rigid body definitions
    112                              are stored in their own main top-level tree entry.)
    113 Pawley ref      \            Pawley reflections
    114 Histograms      \            A dict of dicts. The key for the outer dict is
    115                              the histograms tied to this phase. The inner
    116                              dict contains the combined phase/histogram
    117                              parameters for items such as scale factors,
    118                              size and strain parameters. (dict)
    119 MCSA            \            Monte-Carlo simulated annealing parameters
    120 ==========  ===============  ====================================================
     16Phase information is stored in one or more
     17:ref:`Phase Tree Item <Phase_table>` objects.
     18Note that there are functions
     19that respond to some tabs in the phase GUI in other modules
     20(such as GSASIIddata).
     21
    12122'''
    12223import wx
  • trunk/GSASIIspc.py

    r941 r946  
    44-------------------------------
    55
    6 Space group interpretation routines.
    7 
    8 Space groups are interpreted and the information is placed in a SGdata object,
    9 which is a dict with these keys:
    10 
    11 .. tabularcolumns:: |l|p{4.5in}|
    12 
    13 ==========  ====================================================
    14   key         explaination
    15 ==========  ====================================================
    16 SpGrp       space group symbol (str)
    17 Laue        one of the following 14 Laue classes:
    18             -1, 2/m, mmm, 4/m, 4/mmm, 3R,
    19             3mR, 3, 3m1, 31m, 6/m, 6/mmm, m3, m3m (str)
    20 SGInv       True if centrosymmetric, False if not (bool)
    21 SGLatt      Lattice centering type. Will be one of
    22             P, A, B, C, I, F, R (str)
    23 SGUniq      unique axis if monoclinic. Will be
    24             a, b, or c for monoclinic space groups.
    25             Will be blank for non-monoclinic. (str)
    26 SGCen       Symmetry cell centering vectors. A (n,3) np.array
    27             of centers. Will always have at least one row:
    28             ``np.array([[0, 0, 0]])``
    29 SGOps       symmetry operations as a list in form
    30             [[M1,T1],[M2,T2,...] where Mn is a 3x3 np.array
    31             and T is a length 3 np.array.
    32             Atom coordinates are transformed where the
    33             Asymmetric unit coordinates [X=(x,y,z)] are
    34             transformed using ``M*X+T ==> X'``
    35 SGSys       symmetry unit cell: type one of
    36             'triclinic', 'monoclinic', 'orthorhombic',
    37             'tetragonal', 'rhombohedral', 'trigonal',
    38             'hexagonal', 'cubic' (str)
    39 SGPolax     Axes for space group polarity. Will be one of
    40             '', 'x', 'y', 'x y', 'z', 'x z', 'y z',
    41             'xyz'. In the case where axes are arbitrary
    42             '111' is used (P 1, and ?).
    43 ==========  ====================================================
    44 
     6Space group interpretation routines. Note that space group information is
     7stored in a :ref:`Space Group (SGData)<SGData_table>` object.
    458
    469"""
     
    7033    :returns: (SGError,SGData)
    7134       * SGError = 0 for no errors; >0 for errors (see SGErrors below for details)
    72        * SGData - dictionary with entries:
     35       * SGData - is a dict (see :ref:`Space Group object<SGData_table>`) with entries:
    7336       
    74              * 'SpGrp': space group symbol slightly cleaned up
     37             * 'SpGrp': space group symbol, slightly cleaned up
    7538             * 'Laue':  one of '-1', '2/m', 'mmm', '4/m', '4/mmm', '3R',
    7639               '3mR', '3', '3m1', '31m', '6/m', '6/mmm', 'm3', 'm3m'
  • trunk/GSASIIstrIO.py

    r942 r946  
    142142   
    143143def GetRestraints(GPXfile):
    144     '''Read the restraints from the GPX file
     144    '''Read the restraints from the GPX file.
     145    Throws an exception if not found in the .GPX file
    145146    '''
    146147    fl = open(GPXfile,'rb')
  • trunk/GSASIIstrMain.py

    r939 r946  
    9393    except:
    9494        print ' *** ERROR - your constraints are internally inconsistent ***'
    95         errmsg, warnmsg = G2stIO.CheckConstraints(varylist,constrDict,fixedList)
     95        errmsg, warnmsg = G2stIO.CheckConstraints(varyList,constrDict,fixedList)
    9696        print 'Errors',errmsg
    9797        if warnmsg: print 'Warnings',warnmsg
  • trunk/exports/G2cif.py

    r941 r946  
    394394        # the export process starts here
    395395        self.loadTree()
     396        # ====== move this later ==================================================
     397        #for key in self.OverallParms['Covariance']:
     398        #    print key
     399        #    print type(self.OverallParms['Covariance'][key])
     400        sigDict = dict(zip(
     401            self.OverallParms['Covariance']['varyList'],
     402            self.OverallParms['Covariance']['sig'])
     403                       )
     404        # get restraint info
     405        #restraintDict = self.OverallParms.get('Restraints',{})
     406        for i in  self.OverallParms['Constraints']:
     407            print i
     408            for j in self.OverallParms['Constraints'][i]:
     409                print j
     410        return
     411        parmDict = {}
     412        #G2mv.InitVars()
     413        # do constraint processing
     414        #try:
     415        #    groups,parmlist = G2mv.GroupConstraints(constrDict)
     416        #    G2mv.GenerateConstraints(groups,parmlist,varyList,constrDict,fixedList)
     417        #except:
     418        #    import GSASIIstrIO as G2stIO
     419        #    print ' *** ERROR - your constraints are internally inconsistent ***'
     420        #    errmsg, warnmsg = G2stIO.CheckConstraints(varyList,constrDict,fixedList)
     421        #    print 'Errors',errmsg
     422        #    if warnmsg: print 'Warnings',warnmsg
     423        #    raise Exception(' *** CIF creation aborted ***')
     424       
     425        # add the uncertainties into the esd dictionary (sigDict)
     426        #sigDict.update(G2mv.ComputeDepESD(
     427        #    self.OverallParms['Covariance']['covMatrix'],
     428        #    self.OverallParms['Covariance']['varyList'],
     429        #    parmDict))
     430
     431        return
     432
    396433        self.CIFdate = dt.datetime.strftime(dt.datetime.now(),"%Y-%m-%dT%H:%M")
    397434        # count phases, powder and single crystal histograms
  • trunk/sphinxdocs/build/html/GSASIIGUI.html

    r941 r946  
    6161<p>Module to create the GUI for display of phase information
    6262in the data display window when a phase is selected.
    63 (pages displayed in response to some phase tabs are done in other modules,
    64 such as GSASIIddata.)</p>
    65 <p>Phase information is stored in the GSAS-II data tree as children of the
    66 Phases item in a dict with keys:</p>
    67 <table border="1" class="docutils">
    68 <colgroup>
    69 <col width="13%" />
    70 <col width="19%" />
    71 <col width="68%" />
    72 </colgroup>
    73 <thead valign="bottom">
    74 <tr class="row-odd"><th class="head">key</th>
    75 <th class="head">sub-key</th>
    76 <th class="head">explaination</th>
    77 </tr>
    78 </thead>
    79 <tbody valign="top">
    80 <tr class="row-even"><td>General</td>
    81 <td></td>
    82 <td>Overall information for the phase (dict)</td>
    83 </tr>
    84 <tr class="row-odd"><td></td>
    85 <td>AtomPtrs</td>
    86 <td>? (list)</td>
    87 </tr>
    88 <tr class="row-even"><td></td>
    89 <td>F000X</td>
    90 <td>x-ray F(000) intensity (float)</td>
    91 </tr>
    92 <tr class="row-odd"><td></td>
    93 <td>F000N</td>
    94 <td>neutron F(000) intensity (float)</td>
    95 </tr>
    96 <tr class="row-even"><td></td>
    97 <td>Mydir</td>
    98 <td>directory of current .gpx file (str)</td>
    99 </tr>
    100 <tr class="row-odd"><td></td>
    101 <td>MCSA controls</td>
    102 <td>?</td>
    103 </tr>
    104 <tr class="row-even"><td></td>
    105 <td>Cell</td>
    106 <td>List with 7 items: cell refinement flag (bool)
    107 a, b, c, (Angstrom, float)
    108 alpha, beta &amp; gamma (degrees, float)</td>
    109 </tr>
    110 <tr class="row-odd"><td></td>
    111 <td>Type</td>
    112 <td>for now &#8216;nuclear&#8217; (str)</td>
    113 </tr>
    114 <tr class="row-even"><td></td>
    115 <td>Map</td>
    116 <td>dict of map parameters</td>
    117 </tr>
    118 <tr class="row-odd"><td></td>
    119 <td>SH Texture</td>
    120 <td>dict of spherical harmonic preferred orientation
    121 parameters</td>
    122 </tr>
    123 <tr class="row-even"><td></td>
    124 <td>Isotope</td>
    125 <td>dict of isotopes for each atom type</td>
    126 </tr>
    127 <tr class="row-odd"><td></td>
    128 <td>Isotopes</td>
    129 <td>dict of scattering lengths for each isotope
    130 combination for each element in phase</td>
    131 </tr>
    132 <tr class="row-even"><td></td>
    133 <td>Name</td>
    134 <td>phase name (str)</td>
    135 </tr>
    136 <tr class="row-odd"><td></td>
    137 <td>SGData</td>
    138 <td>Space group details,
    139 as defined in <a class="reference internal" href="GSASIIutil.html#module-GSASIIspc" title="GSASIIspc"><tt class="xref py py-mod docutils literal"><span class="pre">GSASIIspc</span></tt></a></td>
    140 </tr>
    141 <tr class="row-even"><td></td>
    142 <td>Pawley neg wt</td>
    143 <td>Restraint value for negative Pawley intensities
    144 (float)</td>
    145 </tr>
    146 <tr class="row-odd"><td></td>
    147 <td>Flip</td>
    148 <td>Charge flip controls dict?</td>
    149 </tr>
    150 <tr class="row-even"><td></td>
    151 <td>Data plot type</td>
    152 <td>?</td>
    153 </tr>
    154 <tr class="row-odd"><td></td>
    155 <td>Mass</td>
    156 <td>Mass of unit cell contents in g/mm**3</td>
    157 </tr>
    158 <tr class="row-even"><td></td>
    159 <td>POhkl</td>
    160 <td>March-Dollase preferred orientation direction</td>
    161 </tr>
    162 <tr class="row-odd"><td></td>
    163 <td>Z</td>
    164 <td>?</td>
    165 </tr>
    166 <tr class="row-even"><td></td>
    167 <td>vdWRadii</td>
    168 <td>?</td>
    169 </tr>
    170 <tr class="row-odd"><td></td>
    171 <td>Color</td>
    172 <td>Colors for atoms (list of (r,b,g) triplets)</td>
    173 </tr>
    174 <tr class="row-even"><td></td>
    175 <td>AtomTypes</td>
    176 <td>List of atom types</td>
    177 </tr>
    178 <tr class="row-odd"><td></td>
    179 <td>AtomMass</td>
    180 <td>List of masses for atoms</td>
    181 </tr>
    182 <tr class="row-even"><td></td>
    183 <td>doPawley</td>
    184 <td>Flag for Pawley intensity extraction (bool)</td>
    185 </tr>
    186 <tr class="row-odd"><td></td>
    187 <td>NoAtoms</td>
    188 <td>Number of atoms per unit cell of each type (dict)</td>
    189 </tr>
    190 <tr class="row-even"><td></td>
    191 <td>Pawley dmin</td>
    192 <td>maximum Q (as d-space) to use for Pawley
    193 extraction (float)</td>
    194 </tr>
    195 <tr class="row-odd"><td></td>
    196 <td>BondRadii</td>
    197 <td>Radius for each atom used to compute
    198 interatomic distances (list of floats)</td>
    199 </tr>
    200 <tr class="row-even"><td></td>
    201 <td>AngleRadii</td>
    202 <td>Radius for each atom used to compute
    203 interatomic angles (list of floats)</td>
    204 </tr>
    205 <tr class="row-odd"><td>ranId</td>
    206 <td></td>
    207 <td>unique random number Id for phase (int)</td>
    208 </tr>
    209 <tr class="row-even"><td>pId</td>
    210 <td></td>
    211 <td>? (int)</td>
    212 </tr>
    213 <tr class="row-odd"><td>Atoms</td>
    214 <td></td>
    215 <td>Atoms in phase as a list of lists. The outer list
    216 is for each atom, the inner list contains 18
    217 items:
    218 0) atom label, 1) the atom type,
    219 2) the refinement flags, 3-6) x, y, z, frac
    220 7) site symmetry, 8) site multiplicity,
    221 9) &#8216;I&#8217; or &#8216;A&#8217; for iso/anisotropic,
    222 10) Uiso, 10-16) Uij, 16) unique Id #.
    223 (list of lists)</td>
    224 </tr>
    225 <tr class="row-even"><td>Drawing</td>
    226 <td></td>
    227 <td>Display parameters (dict)</td>
    228 </tr>
    229 <tr class="row-odd"><td></td>
    230 <td>ballScale</td>
    231 <td>Size of spheres in ball-and-stick display (float)</td>
    232 </tr>
    233 <tr class="row-even"><td></td>
    234 <td>bondList</td>
    235 <td>dict with bonds</td>
    236 </tr>
    237 <tr class="row-odd"><td></td>
    238 <td>contourLevel</td>
    239 <td>? (float)</td>
    240 </tr>
    241 <tr class="row-even"><td></td>
    242 <td>showABC</td>
    243 <td>Flag to show view point triplet (bool). True=show.</td>
    244 </tr>
    245 <tr class="row-odd"><td></td>
    246 <td>viewDir</td>
    247 <td>cartesian viewing direction (np.array with three
    248 elements)</td>
    249 </tr>
    250 <tr class="row-even"><td></td>
    251 <td>Zclip</td>
    252 <td>clipping distance in A (float)</td>
    253 </tr>
    254 <tr class="row-odd"><td></td>
    255 <td>backColor</td>
    256 <td>background for plot as and R,G,B triplet
    257 (default = [0, 0, 0], black).
    258 (list with three atoms)</td>
    259 </tr>
    260 <tr class="row-even"><td></td>
    261 <td>selectedAtoms</td>
    262 <td>List of selected atoms (list of int values)</td>
    263 </tr>
    264 <tr class="row-odd"><td></td>
    265 <td>showRigidBodies</td>
    266 <td>Flag to highlight rigid body placement</td>
    267 </tr>
    268 <tr class="row-even"><td></td>
    269 <td>sizeH</td>
    270 <td>Size ratio for H atoms (float)</td>
    271 </tr>
    272 <tr class="row-odd"><td></td>
    273 <td>bondRadius</td>
    274 <td>Size of binds in A (float)</td>
    275 </tr>
    276 <tr class="row-even"><td></td>
    277 <td>atomPtrs</td>
    278 <td>? (list)</td>
    279 </tr>
    280 <tr class="row-odd"><td></td>
    281 <td>viewPoint</td>
    282 <td>list of lists. First item in list is [x,y,z]
    283 in fractional coordinates for the center of
    284 the plot. Second item ?.</td>
    285 </tr>
    286 <tr class="row-even"><td></td>
    287 <td>showHydrogen</td>
    288 <td>Flag to control plotting of H atoms.</td>
    289 </tr>
    290 <tr class="row-odd"><td></td>
    291 <td>unitCellBox</td>
    292 <td>Flag to control display of the unit cell.</td>
    293 </tr>
    294 <tr class="row-even"><td></td>
    295 <td>ellipseProb</td>
    296 <td>Probability limit for display of thermal
    297 ellipsoids in % (float).</td>
    298 </tr>
    299 <tr class="row-odd"><td></td>
    300 <td>vdwScale</td>
    301 <td>Multiplier of van der Waals radius for
    302 display of vdW spheres.</td>
    303 </tr>
    304 <tr class="row-even"><td></td>
    305 <td>Atoms</td>
    306 <td>A list of lists with an entry for each atom
    307 that is plotted.</td>
    308 </tr>
    309 <tr class="row-odd"><td></td>
    310 <td>Zstep</td>
    311 <td>Step to de/increase Z-clip (float)</td>
    312 </tr>
    313 <tr class="row-even"><td></td>
    314 <td>Quaternion</td>
    315 <td>Viewing quaternion (4 element np.array)</td>
    316 </tr>
    317 <tr class="row-odd"><td></td>
    318 <td>radiusFactor</td>
    319 <td>Distance ratio for searching for bonds. ? Bonds
    320 are located that are within r(Ra+Rb) and (Ra+Rb)/r
    321 where Ra and Rb are the atomic radii.</td>
    322 </tr>
    323 <tr class="row-even"><td></td>
    324 <td>oldxy</td>
    325 <td>? (list with two floats)</td>
    326 </tr>
    327 <tr class="row-odd"><td></td>
    328 <td>cameraPos</td>
    329 <td>Viewing position in A for plot (float)</td>
    330 </tr>
    331 <tr class="row-even"><td></td>
    332 <td>depthFog</td>
    333 <td>? (bool)</td>
    334 </tr>
    335 <tr class="row-odd"><td>RBModels</td>
    336 <td></td>
    337 <td>Rigid body assignments (note Rigid body definitions
    338 are stored in their own main top-level tree entry.)</td>
    339 </tr>
    340 <tr class="row-even"><td>Pawley ref</td>
    341 <td></td>
    342 <td>Pawley reflections</td>
    343 </tr>
    344 <tr class="row-odd"><td>Histograms</td>
    345 <td></td>
    346 <td>A dict of dicts. The key for the outer dict is
    347 the histograms tied to this phase. The inner
    348 dict contains the combined phase/histogram
    349 parameters for items such as scale factors,
    350 size and strain parameters. (dict)</td>
    351 </tr>
    352 <tr class="row-even"><td>MCSA</td>
    353 <td></td>
    354 <td>Monte-Carlo simulated annealing parameters</td>
    355 </tr>
    356 </tbody>
    357 </table>
     63Phase information is stored in one or more
     64<a class="reference internal" href="GSASIIobj.html#phase-table"><em>Phase Tree Item</em></a> objects.
     65Note that there are functions
     66that respond to some tabs in the phase GUI in other modules
     67(such as GSASIIddata).</p>
    35868<dl class="function">
    35969<dt id="GSASIIphsGUI.UpdatePhaseData">
  • trunk/sphinxdocs/build/html/GSASIIstruc.html

    r939 r946  
    316316
    317317<dl class="function">
    318 <dt id="GSASIIstrMath.getBLvalues">
    319 <tt class="descclassname">GSASIIstrMath.</tt><tt class="descname">getBLvalues</tt><big>(</big><em>BLtables</em><big>)</big><a class="reference internal" href="_modules/GSASIIstrMath.html#getBLvalues"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIstrMath.getBLvalues" title="Permalink to this definition">¶</a></dt>
    320 <dd><p>Needs a doc string</p>
    321 </dd></dl>
    322 
    323 <dl class="function">
    324 <dt id="GSASIIstrMath.getFFvalues">
    325 <tt class="descclassname">GSASIIstrMath.</tt><tt class="descname">getFFvalues</tt><big>(</big><em>FFtables</em>, <em>SQ</em><big>)</big><a class="reference internal" href="_modules/GSASIIstrMath.html#getFFvalues"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIstrMath.getFFvalues" title="Permalink to this definition">¶</a></dt>
    326 <dd><p>Needs a doc string</p>
    327 </dd></dl>
    328 
    329 <dl class="function">
    330318<dt id="GSASIIstrMath.getPowderProfile">
    331319<tt class="descclassname">GSASIIstrMath.</tt><tt class="descname">getPowderProfile</tt><big>(</big><em>parmDict</em>, <em>x</em>, <em>varylist</em>, <em>Histogram</em>, <em>Phases</em>, <em>calcControls</em>, <em>pawleyLookup</em><big>)</big><a class="reference internal" href="_modules/GSASIIstrMath.html#getPowderProfile"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIstrMath.getPowderProfile" title="Permalink to this definition">¶</a></dt>
     
    404392
    405393<dl class="function">
    406 <dt id="GSASIIstrIO.GetBLtable">
    407 <tt class="descclassname">GSASIIstrIO.</tt><tt class="descname">GetBLtable</tt><big>(</big><em>General</em><big>)</big><a class="reference internal" href="_modules/GSASIIstrIO.html#GetBLtable"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIstrIO.GetBLtable" title="Permalink to this definition">¶</a></dt>
    408 <dd><p>returns a dictionary of neutron scattering length data for atom types &amp; isotopes found in General</p>
    409 <table class="docutils field-list" frame="void" rules="none">
    410 <col class="field-name" />
    411 <col class="field-body" />
    412 <tbody valign="top">
    413 <tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><strong>General</strong> (<em>dict</em>) &#8211; dictionary of phase info.; includes AtomTypes &amp; Isotopes</td>
    414 </tr>
    415 <tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body">BLtable, dictionary of scattering length data; key is atom type</td>
    416 </tr>
    417 </tbody>
    418 </table>
    419 </dd></dl>
    420 
    421 <dl class="function">
    422394<dt id="GSASIIstrIO.GetConstraints">
    423395<tt class="descclassname">GSASIIstrIO.</tt><tt class="descname">GetConstraints</tt><big>(</big><em>GPXfile</em><big>)</big><a class="reference internal" href="_modules/GSASIIstrIO.html#GetConstraints"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIstrIO.GetConstraints" title="Permalink to this definition">¶</a></dt>
     
    442414
    443415<dl class="function">
    444 <dt id="GSASIIstrIO.GetFFtable">
    445 <tt class="descclassname">GSASIIstrIO.</tt><tt class="descname">GetFFtable</tt><big>(</big><em>General</em><big>)</big><a class="reference internal" href="_modules/GSASIIstrIO.html#GetFFtable"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIstrIO.GetFFtable" title="Permalink to this definition">¶</a></dt>
    446 <dd><p>returns a dictionary of form factor data for atom types found in General</p>
    447 <table class="docutils field-list" frame="void" rules="none">
    448 <col class="field-name" />
    449 <col class="field-body" />
    450 <tbody valign="top">
    451 <tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><strong>General</strong> (<em>dict</em>) &#8211; dictionary of phase info.; includes AtomTypes</td>
    452 </tr>
    453 <tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body">FFtable, dictionary of form factor data; key is atom type</td>
    454 </tr>
    455 </tbody>
    456 </table>
    457 </dd></dl>
    458 
    459 <dl class="function">
    460416<dt id="GSASIIstrIO.GetFprime">
    461417<tt class="descclassname">GSASIIstrIO.</tt><tt class="descname">GetFprime</tt><big>(</big><em>controlDict</em>, <em>Histograms</em><big>)</big><a class="reference internal" href="_modules/GSASIIstrIO.html#GetFprime"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIstrIO.GetFprime" title="Permalink to this definition">¶</a></dt>
     
    548504<dt id="GSASIIstrIO.GetRestraints">
    549505<tt class="descclassname">GSASIIstrIO.</tt><tt class="descname">GetRestraints</tt><big>(</big><em>GPXfile</em><big>)</big><a class="reference internal" href="_modules/GSASIIstrIO.html#GetRestraints"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIstrIO.GetRestraints" title="Permalink to this definition">¶</a></dt>
    550 <dd><p>Read the restraints from the GPX file</p>
     506<dd><p>Read the restraints from the GPX file.
     507Throws an exception if not found in the .GPX file</p>
    551508</dd></dl>
    552509
  • trunk/sphinxdocs/build/html/GSASIIutil.html

    r941 r946  
    2828    <link rel="top" title="GSAS-II 0.2.0 documentation" href="index.html" />
    2929    <link rel="next" title="GSAS-II GUI Routines" href="GSASIIGUIr.html" />
    30     <link rel="prev" title="GSAS-II Main Module" href="GSASII.html" />
     30    <link rel="prev" title="GSASIIobj: Data objects" href="GSASIIobj.html" />
    3131  </head>
    3232  <body>
     
    4444             accesskey="N">next</a> |</li>
    4545        <li class="right" >
    46           <a href="GSASII.html" title="GSAS-II Main Module"
     46          <a href="GSASIIobj.html" title="GSASIIobj: Data objects"
    4747             accesskey="P">previous</a> |</li>
    4848        <li><a href="index.html">GSAS-II 0.2.0 documentation</a> &raquo;</li>
     
    274274
    275275<dl class="function">
     276<dt id="GSASIIElem.GetBLtable">
     277<tt class="descclassname">GSASIIElem.</tt><tt class="descname">GetBLtable</tt><big>(</big><em>General</em><big>)</big><a class="headerlink" href="#GSASIIElem.GetBLtable" title="Permalink to this definition">¶</a></dt>
     278<dd><p>returns a dictionary of neutron scattering length data for atom types &amp; isotopes found in General</p>
     279<table class="docutils field-list" frame="void" rules="none">
     280<col class="field-name" />
     281<col class="field-body" />
     282<tbody valign="top">
     283<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><strong>General</strong> (<em>dict</em>) &#8211; dictionary of phase info.; includes AtomTypes &amp; Isotopes</td>
     284</tr>
     285<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body">BLtable, dictionary of scattering length data; key is atom type</td>
     286</tr>
     287</tbody>
     288</table>
     289</dd></dl>
     290
     291<dl class="function">
    276292<dt id="GSASIIElem.GetFFC5">
    277293<tt class="descclassname">GSASIIElem.</tt><tt class="descname">GetFFC5</tt><big>(</big><em>ElSym</em><big>)</big><a class="reference internal" href="_modules/GSASIIElem.html#GetFFC5"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#GSASIIElem.GetFFC5" title="Permalink to this definition">¶</a></dt>
     
    284300</tr>
    285301<tr class="field-even field"><th class="field-name">Return El:</th><td class="field-body">dictionary with 5 term form factor &amp; compton coefficients</td>
     302</tr>
     303</tbody>
     304</table>
     305</dd></dl>
     306
     307<dl class="function">
     308<dt id="GSASIIElem.GetFFtable">
     309<tt class="descclassname">GSASIIElem.</tt><tt class="descname">GetFFtable</tt><big>(</big><em>atomTypes</em><big>)</big><a class="headerlink" href="#GSASIIElem.GetFFtable" title="Permalink to this definition">¶</a></dt>
     310<dd><p>returns a dictionary of form factor data for atom types found in atomTypes</p>
     311<table class="docutils field-list" frame="void" rules="none">
     312<col class="field-name" />
     313<col class="field-body" />
     314<tbody valign="top">
     315<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><strong>atomTypes</strong> (<em>list</em>) &#8211; list of atom types</td>
     316</tr>
     317<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body">FFtable, dictionary of form factor data; key is atom type</td>
    286318</tr>
    287319</tbody>
     
    388420</tbody>
    389421</table>
     422</dd></dl>
     423
     424<dl class="function">
     425<dt id="GSASIIElem.getBLvalues">
     426<tt class="descclassname">GSASIIElem.</tt><tt class="descname">getBLvalues</tt><big>(</big><em>BLtables</em><big>)</big><a class="headerlink" href="#GSASIIElem.getBLvalues" title="Permalink to this definition">¶</a></dt>
     427<dd><p>Needs a doc string</p>
     428</dd></dl>
     429
     430<dl class="function">
     431<dt id="GSASIIElem.getFFvalues">
     432<tt class="descclassname">GSASIIElem.</tt><tt class="descname">getFFvalues</tt><big>(</big><em>FFtables</em>, <em>SQ</em><big>)</big><a class="headerlink" href="#GSASIIElem.getFFvalues" title="Permalink to this definition">¶</a></dt>
     433<dd><p>Needs a doc string</p>
    390434</dd></dl>
    391435
     
    9991043<dl class="data">
    10001044<dt id="GSASIIlattice.selftestlist">
    1001 <tt class="descclassname">GSASIIlattice.</tt><tt class="descname">selftestlist</tt><em class="property"> = [&lt;function test0 at 0xc92aa30&gt;, &lt;function test1 at 0xc92aa70&gt;, &lt;function test2 at 0xc92aab0&gt;, &lt;function test3 at 0xc92aaf0&gt;, &lt;function test4 at 0xc92ab30&gt;, &lt;function test5 at 0xc92ab70&gt;, &lt;function test6 at 0xc92abb0&gt;, &lt;function test7 at 0xc92abf0&gt;, &lt;function test8 at 0xc92ac30&gt;, &lt;function test9 at 0xc92ac70&gt;]</em><a class="headerlink" href="#GSASIIlattice.selftestlist" title="Permalink to this definition">¶</a></dt>
     1045<tt class="descclassname">GSASIIlattice.</tt><tt class="descname">selftestlist</tt><em class="property"> = [&lt;function test0 at 0x17d4a070&gt;, &lt;function test1 at 0x17d4a0b0&gt;, &lt;function test2 at 0x17d4a0f0&gt;, &lt;function test3 at 0x17d4a130&gt;, &lt;function test4 at 0x17d4a170&gt;, &lt;function test5 at 0x17d4a1b0&gt;, &lt;function test6 at 0x17d4a1f0&gt;, &lt;function test7 at 0x17d4a230&gt;, &lt;function test8 at 0x17d4a270&gt;, &lt;function test9 at 0x17d4a2b0&gt;]</em><a class="headerlink" href="#GSASIIlattice.selftestlist" title="Permalink to this definition">¶</a></dt>
    10021046<dd><p>Defines a list of self-tests</p>
    10031047</dd></dl>
     
    10911135<span class="target" id="module-GSASIIspc"></span><div class="section" id="gsasiispc-space-group-module">
    10921136<h2><em>GSASIIspc: Space group module</em><a class="headerlink" href="#gsasiispc-space-group-module" title="Permalink to this headline">¶</a></h2>
    1093 <p>Space group interpretation routines.</p>
    1094 <p>Space groups are interpreted and the information is placed in a SGdata object,
    1095 which is a dict with these keys:</p>
    1096 <table border="1" class="docutils">
    1097 <colgroup>
    1098 <col width="16%" />
    1099 <col width="84%" />
    1100 </colgroup>
    1101 <thead valign="bottom">
    1102 <tr class="row-odd"><th class="head">key</th>
    1103 <th class="head">explaination</th>
    1104 </tr>
    1105 </thead>
    1106 <tbody valign="top">
    1107 <tr class="row-even"><td>SpGrp</td>
    1108 <td>space group symbol (str)</td>
    1109 </tr>
    1110 <tr class="row-odd"><td>Laue</td>
    1111 <td>one of the following 14 Laue classes:
    1112 -1, 2/m, mmm, 4/m, 4/mmm, 3R,
    1113 3mR, 3, 3m1, 31m, 6/m, 6/mmm, m3, m3m (str)</td>
    1114 </tr>
    1115 <tr class="row-even"><td>SGInv</td>
    1116 <td>True if centrosymmetric, False if not (bool)</td>
    1117 </tr>
    1118 <tr class="row-odd"><td>SGLatt</td>
    1119 <td>Lattice centering type. Will be one of
    1120 P, A, B, C, I, F, R (str)</td>
    1121 </tr>
    1122 <tr class="row-even"><td>SGUniq</td>
    1123 <td>unique axis if monoclinic. Will be
    1124 a, b, or c for monoclinic space groups.
    1125 Will be blank for non-monoclinic. (str)</td>
    1126 </tr>
    1127 <tr class="row-odd"><td>SGCen</td>
    1128 <td>Symmetry cell centering vectors. A (n,3) np.array
    1129 of centers. Will always have at least one row:
    1130 <tt class="docutils literal"><span class="pre">np.array([[0,</span> <span class="pre">0,</span> <span class="pre">0]])</span></tt></td>
    1131 </tr>
    1132 <tr class="row-even"><td>SGOps</td>
    1133 <td>symmetry operations as a list in form
    1134 [[M1,T1],[M2,T2,...] where Mn is a 3x3 np.array
    1135 and T is a length 3 np.array.
    1136 Atom coordinates are transformed where the
    1137 Asymmetric unit coordinates [X=(x,y,z)] are
    1138 transformed using <tt class="docutils literal"><span class="pre">M*X+T</span> <span class="pre">==&gt;</span> <span class="pre">X'</span></tt></td>
    1139 </tr>
    1140 <tr class="row-odd"><td>SGSys</td>
    1141 <td>symmetry unit cell: type one of
    1142 &#8216;triclinic&#8217;, &#8216;monoclinic&#8217;, &#8216;orthorhombic&#8217;,
    1143 &#8216;tetragonal&#8217;, &#8216;rhombohedral&#8217;, &#8216;trigonal&#8217;,
    1144 &#8216;hexagonal&#8217;, &#8216;cubic&#8217; (str)</td>
    1145 </tr>
    1146 <tr class="row-even"><td>SGPolax</td>
    1147 <td>Axes for space group polarity. Will be one of
    1148 &#8216;&#8217;, &#8216;x&#8217;, &#8216;y&#8217;, &#8216;x y&#8217;, &#8216;z&#8217;, &#8216;x z&#8217;, &#8216;y z&#8217;,
    1149 &#8216;xyz&#8217;. In the case where axes are arbitrary
    1150 &#8216;111&#8217; is used (P 1, and ?).</td>
    1151 </tr>
    1152 </tbody>
    1153 </table>
     1137<p>Space group interpretation routines. Note that space group information is
     1138stored in a <a class="reference internal" href="GSASIIobj.html#sgdata-table"><em>Space Group (SGData)</em></a> object.</p>
    11541139<dl class="function">
    11551140<dt id="GSASIIspc.ApplyStringOps">
     
    14001385<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body">(SGError,SGData)
    14011386* SGError = 0 for no errors; &gt;0 for errors (see SGErrors below for details)
    1402 * SGData - dictionary with entries:<blockquote>
     1387* SGData - is a dict (see <a class="reference internal" href="GSASIIobj.html#sgdata-table"><em>Space Group object</em></a>) with entries:<blockquote>
    14031388<div><ul class="simple">
    1404 <li>&#8216;SpGrp&#8217;: space group symbol slightly cleaned up</li>
     1389<li>&#8216;SpGrp&#8217;: space group symbol, slightly cleaned up</li>
    14051390<li>&#8216;Laue&#8217;:  one of &#8216;-1&#8217;, &#8216;2/m&#8217;, &#8216;mmm&#8217;, &#8216;4/m&#8217;, &#8216;4/mmm&#8217;, &#8216;3R&#8217;,
    14061391&#8216;3mR&#8217;, &#8216;3&#8217;, &#8216;3m1&#8217;, &#8216;31m&#8217;, &#8216;6/m&#8217;, &#8216;6/mmm&#8217;, &#8216;m3&#8217;, &#8216;m3m&#8217;</li>
     
    14721457<dl class="data">
    14731458<dt id="GSASIIspc.selftestlist">
    1474 <tt class="descclassname">GSASIIspc.</tt><tt class="descname">selftestlist</tt><em class="property"> = [&lt;function test0 at 0xbdfd7b0&gt;, &lt;function test1 at 0xbdfd930&gt;, &lt;function test2 at 0xbdfd9f0&gt;, &lt;function test3 at 0xbdfdb70&gt;]</em><a class="headerlink" href="#GSASIIspc.selftestlist" title="Permalink to this definition">¶</a></dt>
     1459<tt class="descclassname">GSASIIspc.</tt><tt class="descname">selftestlist</tt><em class="property"> = [&lt;function test0 at 0x17d4a2f0&gt;, &lt;function test1 at 0x17d4a730&gt;, &lt;function test2 at 0x17d4a870&gt;, &lt;function test3 at 0x17d4a9b0&gt;]</em><a class="headerlink" href="#GSASIIspc.selftestlist" title="Permalink to this definition">¶</a></dt>
    14751460<dd><p>Defines a list of self-tests</p>
    14761461</dd></dl>
     
    15461531
    15471532  <h4>Previous topic</h4>
    1548   <p class="topless"><a href="GSASII.html"
    1549                         title="previous chapter"><em>GSAS-II Main Module</em></a></p>
     1533  <p class="topless"><a href="GSASIIobj.html"
     1534                        title="previous chapter"><em>GSASIIobj: Data objects</em></a></p>
    15501535  <h4>Next topic</h4>
    15511536  <p class="topless"><a href="GSASIIGUIr.html"
     
    15861571             >next</a> |</li>
    15871572        <li class="right" >
    1588           <a href="GSASII.html" title="GSAS-II Main Module"
     1573          <a href="GSASIIobj.html" title="GSASIIobj: Data objects"
    15891574             >previous</a> |</li>
    15901575        <li><a href="index.html">GSAS-II 0.2.0 documentation</a> &raquo;</li>
  • trunk/sphinxdocs/build/html/_modules/index.html

    r939 r946  
    4848           
    4949  <h1>All modules for which code is available</h1>
    50 <ul><li><a href="GSASII.html">GSASII</a></li>
     50<ul><li><a href="G2obj.html">G2obj</a></li>
     51<li><a href="GSASII.html">GSASII</a></li>
    5152<li><a href="GSASIIElem.html">GSASIIElem</a></li>
    5253<li><a href="GSASIIElemGUI.html">GSASIIElemGUI</a></li>
     
    6162<li><a href="GSASIImapvars.html">GSASIImapvars</a></li>
    6263<li><a href="GSASIImath.html">GSASIImath</a></li>
     64<li><a href="GSASIIobj.html">GSASIIobj</a></li>
    6365<li><a href="GSASIIpath.html">GSASIIpath</a></li>
    6466<li><a href="GSASIIphsGUI.html">GSASIIphsGUI</a></li>
  • trunk/sphinxdocs/build/html/genindex.html

    r941 r946  
    242242  </dt>
    243243
    244   </dl></td>
    245   <td style="width: 33%" valign="top"><dl>
    246244     
    247245  <dt><a href="GSASIIstruc.html#GSASIIstrIO.cellFill">cellFill() (in module GSASIIstrIO)</a>
     
    252250  </dt>
    253251
     252  </dl></td>
     253  <td style="width: 33%" valign="top"><dl>
    254254     
    255255  <dt><a href="GSASIIutil.html#GSASIIlattice.CentCheck">CentCheck() (in module GSASIIlattice)</a>
     
    307307
    308308     
     309  <dt><a href="GSASIIobj.html#index-1">Constraint definition object description</a>
     310  </dt>
     311
     312     
     313  <dt><a href="GSASIIobj.html#index-0">Constraints object description</a>
     314  </dt>
     315
     316     
    309317  <dt><a href="GSASIIGUIr.html#GSASIIIO.ImportBaseclass.ContentsValidator">ContentsValidator() (GSASIIIO.ImportBaseclass method)</a>
    310318  </dt>
     
    316324     
    317325  <dt><a href="GSASIIutil.html#GSASIIlattice.CosSinAngle">CosSinAngle() (in module GSASIIlattice)</a>
     326  </dt>
     327
     328     
     329  <dt><a href="GSASIIobj.html#index-2">Covariance description</a>
    318330  </dt>
    319331
     
    333345  <td style="width: 33%" valign="top"><dl>
    334346     
     347  <dt>
     348    Data object descriptions
     349  </dt>
     350
     351      <dd><dl>
     352       
     353  <dt><a href="GSASIIobj.html#index-1">Constraint Definition</a>
     354  </dt>
     355
     356       
     357  <dt><a href="GSASIIobj.html#index-0">Constraints</a>
     358  </dt>
     359
     360       
     361  <dt><a href="GSASIIobj.html#index-2">Covariance</a>
     362  </dt>
     363
     364       
     365  <dt><a href="GSASIIobj.html#index-3">Phase</a>
     366  </dt>
     367
     368       
     369  <dt><a href="GSASIIobj.html#index-4">SGData</a>
     370  </dt>
     371
     372      </dl></dd>
     373     
    335374  <dt><a href="GSASIIGUIr.html#GSASIIgrid.DataFrame">DataFrame (class in GSASIIgrid)</a>
    336375  </dt>
     
    356395  </dt>
    357396
     397  </dl></td>
     398  <td style="width: 33%" valign="top"><dl>
    358399     
    359400  <dt><a href="GSASIIpwd.html#GSASIIpwd.Dict2Values">Dict2Values() (in module GSASIIpwd)</a>
     
    366407
    367408      </dl></dd>
    368   </dl></td>
    369   <td style="width: 33%" valign="top"><dl>
    370409     
    371410  <dt><a href="GSASIIGUIr.html#GSASIIgrid.DisAglDialog">DisAglDialog (class in GSASIIgrid)</a>
     
    550589  </dt>
    551590
     591     
     592  <dt><a href="GSASIIobj.html#GSASIIobj.VarName.fullDescr">fullDescr() (GSASIIobj.VarName method)</a>
     593  </dt>
     594
    552595  </dl></td>
    553596</tr></table>
     
    641684
    642685     
    643   <dt><a href="GSASIIstruc.html#GSASIIstrIO.GetBLtable">GetBLtable() (in module GSASIIstrIO)</a>
    644   </dt>
    645 
    646      
    647   <dt><a href="GSASIIstruc.html#GSASIIstrMath.getBLvalues">getBLvalues() (in module GSASIIstrMath)</a>
     686  <dt><a href="GSASIIutil.html#GSASIIElem.GetBLtable">GetBLtable() (in module GSASIIElem)</a>
     687  </dt>
     688
     689     
     690  <dt><a href="GSASIIutil.html#GSASIIElem.getBLvalues">getBLvalues() (in module GSASIIElem)</a>
    648691  </dt>
    649692
     
    681724
    682725     
     726  <dt><a href="GSASIIobj.html#GSASIIobj.VarName.getDescr">getDescr() (GSASIIobj.VarName method)</a>
     727  </dt>
     728
     729     
    683730  <dt><a href="GSASIIimage.html#GSASIIimage.GetDetectorXY">GetDetectorXY() (in module GSASIIimage)</a>
    684731  </dt>
     
    729776
    730777     
    731   <dt><a href="GSASIIstruc.html#GSASIIstrIO.GetFFtable">GetFFtable() (in module GSASIIstrIO)</a>
    732   </dt>
    733 
    734      
    735   <dt><a href="GSASIIstruc.html#GSASIIstrMath.getFFvalues">getFFvalues() (in module GSASIIstrMath)</a>
     778  <dt><a href="GSASIIutil.html#GSASIIElem.GetFFtable">GetFFtable() (in module GSASIIElem)</a>
     779  </dt>
     780
     781     
     782  <dt><a href="GSASIIutil.html#GSASIIElem.getFFvalues">getFFvalues() (in module GSASIIElem)</a>
    736783  </dt>
    737784
     
    11111158
    11121159     
     1160  <dt><a href="GSASIIobj.html#module-GSASIIobj">GSASIIobj (module)</a>
     1161  </dt>
     1162
     1163     
    11131164  <dt><a href="GSASIIutil.html#module-GSASIIpath">GSASIIpath (module)</a>
    11141165  </dt>
     
    12851336
    12861337     
     1338  <dt><a href="GSASIIobj.html#GSASIIobj.LoadHistogramIDs">LoadHistogramIDs() (in module GSASIIobj)</a>
     1339  </dt>
     1340
     1341  </dl></td>
     1342  <td style="width: 33%" valign="top"><dl>
     1343     
    12871344  <dt><a href="GSASIIGUIr.html#GSASIIIO.ExportBaseclass.loadTree">loadTree() (GSASIIIO.ExportBaseclass method)</a>
    12881345  </dt>
    12891346
    1290   </dl></td>
    1291   <td style="width: 33%" valign="top"><dl>
    12921347     
    12931348  <dt><a href="GSASIIpwd.html#GSASIIpwd.LorchWeight">LorchWeight() (in module GSASIIpwd)</a>
     
    14071462  <td style="width: 33%" valign="top"><dl>
    14081463     
     1464  <dt><a href="GSASIIobj.html#GSASIIobj.VarName.name">name() (GSASIIobj.VarName method)</a>
     1465  </dt>
     1466
     1467     
    14091468  <dt><a href="GSASIIpwd.html#GSASIIpwd.norm_gen">norm_gen (class in GSASIIpwd)</a>
    14101469  </dt>
     
    16211680
    16221681     
     1682  <dt><a href="GSASIIobj.html#index-3">Phase object description</a>
     1683  </dt>
     1684
     1685     
    16231686  <dt><a href="GSASIIGUIr.html#GSASIIIO.ImportPhase.PhaseSelector">PhaseSelector() (GSASIIIO.ImportPhase method)</a>
    16241687  </dt>
     
    19512014
    19522015     
     2016  <dt><a href="GSASIIobj.html#index-4">SGData description</a>
     2017  </dt>
     2018
     2019     
    19532020  <dt><a href="GSASIIutil.html#GSASIIspc.SGErrors">SGErrors() (in module GSASIIspc)</a>
    19542021  </dt>
     
    19762043
    19772044      </dl></dd>
     2045  </dl></td>
     2046  <td style="width: 33%" valign="top"><dl>
    19782047     
    19792048  <dt><a href="GSASIIsolve.html#GSASIIsolve.ShowControls">ShowControls() (in module GSASIIsolve)</a>
     
    19862055
    19872056      </dl></dd>
    1988   </dl></td>
    1989   <td style="width: 33%" valign="top"><dl>
    19902057     
    19912058  <dt><a href="GSASIIGUIr.html#GSASIIgrid.ShowHelp">ShowHelp() (in module GSASIIgrid)</a>
     
    23402407  </dt>
    23412408
    2342   </dl></td>
    2343   <td style="width: 33%" valign="top"><dl>
    23442409     
    23452410  <dt><a href="GSASIIpwd.html#GSASIIpwd.Values2Dict">Values2Dict() (in module GSASIIpwd)</a>
     
    23522417
    23532418      </dl></dd>
     2419  </dl></td>
     2420  <td style="width: 33%" valign="top"><dl>
     2421     
     2422  <dt><a href="GSASIIobj.html#GSASIIobj.VarName">VarName (class in GSASIIobj)</a>
     2423  </dt>
     2424
    23542425     
    23552426  <dt><a href="GSASIImapvars.html#GSASIImapvars.VarRemapShow">VarRemapShow() (in module GSASIImapvars)</a>
  • trunk/sphinxdocs/build/html/index.html

    r939 r946  
    5656<ul>
    5757<li class="toctree-l1"><a class="reference internal" href="GSASII.html"><em>GSAS-II Main Module</em></a></li>
     58<li class="toctree-l1"><a class="reference internal" href="GSASIIobj.html"><em>GSASIIobj: Data objects</em></a><ul>
     59<li class="toctree-l2"><a class="reference internal" href="GSASIIobj.html#constraints-tree-item">Constraints Tree Item</a></li>
     60<li class="toctree-l2"><a class="reference internal" href="GSASIIobj.html#covariance-tree-item">Covariance Tree Item</a></li>
     61<li class="toctree-l2"><a class="reference internal" href="GSASIIobj.html#phase-tree-item">Phase Tree Item</a></li>
     62<li class="toctree-l2"><a class="reference internal" href="GSASIIobj.html#space-group-objects">Space Group Objects</a></li>
     63</ul>
     64</li>
    5865<li class="toctree-l1"><a class="reference internal" href="GSASIIutil.html"><em>GSAS-II Utility Modules</em></a><ul>
    5966<li class="toctree-l2"><a class="reference internal" href="GSASIIutil.html#gsasiidata-data-for-computations"><em>GSASIIdata: Data for computations</em></a></li>
  • trunk/sphinxdocs/build/html/py-modindex.html

    r939 r946  
    155155       <td>
    156156       <a href="GSASIImath.html#module-GSASIImath"><tt class="xref">GSASIImath</tt></a></td><td>
     157       <em></em></td></tr>
     158     <tr>
     159       <td></td>
     160       <td>
     161       <a href="GSASIIobj.html#module-GSASIIobj"><tt class="xref">GSASIIobj</tt></a></td><td>
    157162       <em></em></td></tr>
    158163     <tr>
  • trunk/sphinxdocs/build/html/searchindex.js

    r941 r946  
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  • trunk/sphinxdocs/source/index.rst

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    1010  GSASII.rst
     11  GSASIIobj.rst
    1112  GSASIIutil.rst
    1213  GSASIIGUIr.rst
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