From 0f9ab19f275c3889e37f005e73b0547ce5bef629 Mon Sep 17 00:00:00 2001 From: Pete Peterson <petersonpf@ornl.gov> Date: Mon, 30 Jun 2014 15:26:17 -0400 Subject: [PATCH] Re #9777. Adding attributes tags to fit functions. --- .../docs/source/fitfunctions/Abragam.rst | 2 + .../docs/source/fitfunctions/BSpline.rst | 2 + .../fitfunctions/BackToBackExponential.rst | 7 +- .../source/fitfunctions/BivariateNormal.rst | 8 +- .../docs/source/fitfunctions/Chebyshev.rst | 2 + .../source/fitfunctions/ChudleyElliot.rst | 2 + .../source/fitfunctions/CompositeFunction.rst | 2 + .../docs/source/fitfunctions/Convolution.rst | 2 + .../docs/source/fitfunctions/CubicSpline.rst | 2 + .../source/fitfunctions/DSFinterp1DFit.rst | 28 ++++--- .../fitfunctions/DiffRotDiscreteCircle.rst | 80 ++++--------------- .../docs/source/fitfunctions/DiffSphere.rst | 24 ++---- .../docs/source/fitfunctions/ExpDecay.rst | 2 + .../docs/source/fitfunctions/ExpDecayMuon.rst | 2 + .../docs/source/fitfunctions/ExpDecayOsc.rst | 6 +- .../source/fitfunctions/FickDiffusion.rst | 2 + .../source/fitfunctions/FlatBackground.rst | 4 +- .../docs/source/fitfunctions/GausDecay.rst | 2 + .../docs/source/fitfunctions/GausOsc.rst | 2 + .../docs/source/fitfunctions/Gaussian.rst | 2 + .../docs/source/fitfunctions/HallRoss.rst | 2 + .../source/fitfunctions/IkedaCarpenterPV.rst | 2 + .../source/fitfunctions/LatticeErrors.rst | 1 + .../source/fitfunctions/LinearBackground.rst | 4 +- .../docs/source/fitfunctions/LogNormal.rst | 2 + .../docs/source/fitfunctions/Lorentzian.rst | 12 +-- .../source/fitfunctions/MuonFInteraction.rst | 2 + .../NeutronBk2BkExpConvPVoigt.rst | 2 + .../source/fitfunctions/PeakHKLErrors.rst | 17 ++-- .../source/fitfunctions/ProductFunction.rst | 2 + .../source/fitfunctions/ProductLinearExp.rst | 4 + .../fitfunctions/ProductQuadraticExp.rst | 4 + .../docs/source/fitfunctions/Quadratic.rst | 2 + .../source/fitfunctions/SCDPanelErrors.rst | 72 +++++++---------- .../source/fitfunctions/StaticKuboToyabe.rst | 2 + .../StaticKuboToyabeTimesExpDecay.rst | 6 +- .../StaticKuboToyabeTimesGausDecay.rst | 6 +- .../docs/source/fitfunctions/StretchExp.rst | 2 + .../source/fitfunctions/StretchExpMuon.rst | 2 + .../source/fitfunctions/StretchedExpFT.rst | 2 + .../source/fitfunctions/TeixeiraWater.rst | 2 + .../ThermalNeutronBk2BkExpConvPVoigt.rst | 2 + .../docs/source/fitfunctions/UserFunction.rst | 2 + .../Mantid/docs/source/fitfunctions/Voigt.rst | 2 + 44 files changed, 173 insertions(+), 166 deletions(-) diff --git a/Code/Mantid/docs/source/fitfunctions/Abragam.rst b/Code/Mantid/docs/source/fitfunctions/Abragam.rst index 71d91a51aae..1a712b51f82 100644 --- a/Code/Mantid/docs/source/fitfunctions/Abragam.rst +++ b/Code/Mantid/docs/source/fitfunctions/Abragam.rst @@ -13,6 +13,8 @@ Abragam fitting function for use by Muon scientists defined by .. math:: \mbox{A}\times cos( 2 \pi \times {Omega} \times {x} + {Phi} ) \times \exp(-{Sigma}^2 \times Tau^2 \times {x}^2 \times ( exp ( {x} / Tau ) - 1 + {x} / Tau ) ) +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/BSpline.rst b/Code/Mantid/docs/source/fitfunctions/BSpline.rst index f173f1cf65a..d981f3f313a 100644 --- a/Code/Mantid/docs/source/fitfunctions/BSpline.rst +++ b/Code/Mantid/docs/source/fitfunctions/BSpline.rst @@ -21,6 +21,8 @@ interpolation points. The parameter names have the form 'yi' where 'y' is letter 'y' and 'i' is the parameter's index starting from 0 and have the type double. Likewise, the attribute names have the form 'xi'. +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/BackToBackExponential.rst b/Code/Mantid/docs/source/fitfunctions/BackToBackExponential.rst index 96b44df13bf..b4c4455ec67 100644 --- a/Code/Mantid/docs/source/fitfunctions/BackToBackExponential.rst +++ b/Code/Mantid/docs/source/fitfunctions/BackToBackExponential.rst @@ -41,13 +41,12 @@ peak: .. figure:: /images/BackToBackExponentialWithConstBackground.png :alt: BackToBackExponentialWithConstBackground.png -Properties ----------- +.. attributes:: + +.. properties:: .. note:: the initial default guesses for in particular A and B are only based on fitting a couple of peaks in a dataset collected on the ISIS's HRPD instrument. -.. properties:: - .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/BivariateNormal.rst b/Code/Mantid/docs/source/fitfunctions/BivariateNormal.rst index e59055f5129..ee5c9f4a822 100644 --- a/Code/Mantid/docs/source/fitfunctions/BivariateNormal.rst +++ b/Code/Mantid/docs/source/fitfunctions/BivariateNormal.rst @@ -19,8 +19,7 @@ The Normal(..) is the Normal probability density function. Its integral over all x(col) and y(row) values is one. This means that Intensity is the total intensity with background removed. -Attributes -~~~~~~~~~~ +.. attributes:: There is only one Attribute: **CalcVariances**. This attribute is boolean. @@ -32,8 +31,7 @@ CalcVariances = true gives better/more stable results for peaks interior to the Rectangular Detector. For peaks close to the edge, CalcVariances should be false. -Parameters -~~~~~~~~~~ +.. properties:: #. Background - The background of the peak #. Intensity - The intensity of data for the peak on this time slice @@ -64,6 +62,4 @@ square or contiguous subregion of a panel The values for out in function1D are, for each pixel, the difference of V(see formula) and dataY(0). -.. properties:: - .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/Chebyshev.rst b/Code/Mantid/docs/source/fitfunctions/Chebyshev.rst index 1f9660f04d0..a7d2cee0a31 100644 --- a/Code/Mantid/docs/source/fitfunctions/Chebyshev.rst +++ b/Code/Mantid/docs/source/fitfunctions/Chebyshev.rst @@ -35,6 +35,8 @@ index starting from 0. The other two attributes are doubles 'StartX' and 'EndX' which define the expansion (fitting) interval. +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/ChudleyElliot.rst b/Code/Mantid/docs/source/fitfunctions/ChudleyElliot.rst index 75ab2cd234f..9c9a5160014 100644 --- a/Code/Mantid/docs/source/fitfunctions/ChudleyElliot.rst +++ b/Code/Mantid/docs/source/fitfunctions/ChudleyElliot.rst @@ -15,6 +15,8 @@ motions of molecules. The Chudley-Elliot Jump diffusion model (1961) has the for .. math:: Gamma(Q) = (1 - sin(Ql)/Ql)/tau +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/CompositeFunction.rst b/Code/Mantid/docs/source/fitfunctions/CompositeFunction.rst index 6092eaa5ed1..a34a4bad82c 100644 --- a/Code/Mantid/docs/source/fitfunctions/CompositeFunction.rst +++ b/Code/Mantid/docs/source/fitfunctions/CompositeFunction.rst @@ -65,6 +65,8 @@ inner one in brackets: ``name=LinearBackground;(composite=Convolution;name=Resolution;name=Lorentzian)`` +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/Convolution.rst b/Code/Mantid/docs/source/fitfunctions/Convolution.rst index d11803c224a..b37645cc3e1 100644 --- a/Code/Mantid/docs/source/fitfunctions/Convolution.rst +++ b/Code/Mantid/docs/source/fitfunctions/Convolution.rst @@ -38,6 +38,8 @@ Note that the box function is defined on interval [-5, 5]: .. figure:: /images/Box.png :alt: Box.png +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/CubicSpline.rst b/Code/Mantid/docs/source/fitfunctions/CubicSpline.rst index f81667c21d1..87fa2a3838c 100644 --- a/Code/Mantid/docs/source/fitfunctions/CubicSpline.rst +++ b/Code/Mantid/docs/source/fitfunctions/CubicSpline.rst @@ -21,6 +21,8 @@ interpolation points. The parameter names have the form 'yi' where 'y' is letter 'y' and 'i' is the parameter's index starting from 0 and have the type double. Likewise, the attribute names have the form 'xi'. +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/DSFinterp1DFit.rst b/Code/Mantid/docs/source/fitfunctions/DSFinterp1DFit.rst index 0f7e1c99952..2c7374c10a8 100644 --- a/Code/Mantid/docs/source/fitfunctions/DSFinterp1DFit.rst +++ b/Code/Mantid/docs/source/fitfunctions/DSFinterp1DFit.rst @@ -19,19 +19,21 @@ This fitting function is closely related to algorithm :ref:`DSFinterp <algm-DSFi This fit function requires dsfinterp (https://pypi.python.org/pypi/dsfinterp). -Atributes (non-fitting parameters) ----------------------------------- - -===== ================ ========= ========= ========= =========================================================================== -Order Name Direction Type Default Description -===== ================ ========= ========= ========= =========================================================================== -1 InputWorkspaces Input str list Mandatory list of input workspace names in a single string, separated by white spaces -2 LoadErrors Input bool True Do we load error data contained in the workspaces? -3 ParameterValues Input dbl list Mandatory list of input parameter values, as a single string separated by white spaces -4 LocalRegression Input bool True Perform running local-regression? -5 RegressionWindow Input number 6 window size for the running local-regression -6 RegressionType Input str quadratic type of local-regression; linear and quadratic are available -===== ================ ========= ========= ========= =========================================================================== +Attributes (non-fitting parameters) +----------------------------------- + +.. TODO should be an "attributes" tag here + +================ ========= ========= =========================================================================== +Name Type Default Description +================ ========= ========= =========================================================================== +InputWorkspaces str list Mandatory list of input workspace names in a single string, separated by white spaces +LoadErrors bool True Do we load error data contained in the workspaces? +ParameterValues dbl list Mandatory list of input parameter values, as a single string separated by white spaces +LocalRegression bool True Perform running local-regression? +RegressionWindow number 6 window size for the running local-regression +RegressionType str quadratic type of local-regression; linear and quadratic are available +================ ========= ========= =========================================================================== .. properties:: diff --git a/Code/Mantid/docs/source/fitfunctions/DiffRotDiscreteCircle.rst b/Code/Mantid/docs/source/fitfunctions/DiffRotDiscreteCircle.rst index 4feae1d6a80..87687283b24 100644 --- a/Code/Mantid/docs/source/fitfunctions/DiffRotDiscreteCircle.rst +++ b/Code/Mantid/docs/source/fitfunctions/DiffRotDiscreteCircle.rst @@ -19,50 +19,26 @@ type of discrete rotational diffusion in a circle. Markov model for jumps between neighboring sites: -.. raw:: html +.. math:: - <center> - -:math:`\frac{d}{dt} p_j(t) = \frac{1}{\tau} [p_{j-1}(t) -2 p_j(t) + p_{j+1}(t)]` - -.. raw:: html - - </center> + \frac{d}{dt} p_j(t) = \frac{1}{\tau} [p_{j-1}(t) -2 p_j(t) + p_{j+1}(t)] The Decay fitting parameter :math:`\tau` is the inverse of the transition rate. This, along with the circle radius :math:`r`, conform the two fundamental fitting parameters of the structure factor :math:`S(Q,E)`: -.. raw:: html - - <center> - -:math:`S(Q,E) \equiv = \int e^{-iEt/\hbar} I(Q,t) dt = A_0(Q,r) \delta (E) + \frac{1}{\pi} \sum_{l=1}^{N-1} A_l (Q,r) \frac{\hbar \tau_l^{-1}}{(\hbar \tau_l^{-1})^2+E^2}` - -.. raw:: html - - </center> - -.. raw:: html - - <center> - -:math:`A_l(Q,r) = \frac{1}{N} \sum_{k=1}^{N} j_0( 2 Q r sin(\frac{\pi k}{N}) ) cos(\frac{2\pi lk}{N})` - -.. raw:: html - - </center> +.. math:: -.. raw:: html + S(Q,E) \equiv = \int e^{-iEt/\hbar} I(Q,t) dt = A_0(Q,r) \delta (E) + \frac{1}{\pi} \sum_{l=1}^{N-1} A_l (Q,r) \frac{\hbar \tau_l^{-1}}{(\hbar \tau_l^{-1})^2+E^2} - <center> +.. math:: -:math:`\tau_l^{-1} = 4 \tau^{-1} sin^2(\frac{\pi l}{N})` + A_l(Q,r) = \frac{1}{N} \sum_{k=1}^{N} j_0( 2 Q r sin(\frac{\pi k}{N}) ) cos(\frac{2\pi lk}{N}) -.. raw:: html +.. math:: - </center> + \tau_l^{-1} = 4 \tau^{-1} sin^2(\frac{\pi l}{N}) The transition rate, expressed in units of energy is :math:`h\tau^{-1}`, with h = 4.135665616 meV THz. @@ -73,50 +49,28 @@ Example: Methyl Rotations Methyl Rotations can be modelled setting N=3. In this case, the inelastic part reduces to a single Lorentzian: -.. raw:: html +.. math:: - <center> - -:math:`S(Q,E) = A_0(Q,r) \delta (E) + \frac{2}{\pi} A_1 (Q,r) \frac{3 \hbar \tau^{-1}}{(3 \hbar \tau^{-1})^2+E^2}` - -.. raw:: html - - </center> + S(Q,E) = A_0(Q,r) \delta (E) + \frac{2}{\pi} A_1 (Q,r) \frac{3 \hbar \tau^{-1}}{(3 \hbar \tau^{-1})^2+E^2} If, alternatively, one models these dynamics using the `Lorentzian <Lorentzian>`__ function provided in Mantid: -.. raw:: html - - <center> - -:math:`S(Q,E) = A \delta (\omega) + \frac{B}{\pi} \left( \frac{\frac{\Gamma}{2}}{(\frac{\Gamma}{2})^2 + (\hbar\omega)^2}\right)` - -.. raw:: html +.. math:: - </center> + S(Q,E) = A \delta (\omega) + \frac{B}{\pi} \left( \frac{\frac{\Gamma}{2}}{(\frac{\Gamma}{2})^2 + (\hbar\omega)^2}\right) Then: -.. raw:: html - - <center> - -:math:`B = \frac{1}{\pi}h A_1` - -.. raw:: html - - </center> - -.. raw:: html +.. math:: - <center> + B = \frac{1}{\pi}h A_1 -:math:`\Gamma = \frac{3}{\pi} h\tau^{-1} = 3.949269754 meV\cdot THz\cdot \tau^{-1}` +.. math:: -.. raw:: html + \Gamma = \frac{3}{\pi} h\tau^{-1} = 3.949269754 meV\cdot THz\cdot \tau^{-1} - </center> +.. attributes:: .. properties:: diff --git a/Code/Mantid/docs/source/fitfunctions/DiffSphere.rst b/Code/Mantid/docs/source/fitfunctions/DiffSphere.rst index fd05131b386..4af4243cc63 100644 --- a/Code/Mantid/docs/source/fitfunctions/DiffSphere.rst +++ b/Code/Mantid/docs/source/fitfunctions/DiffSphere.rst @@ -17,17 +17,13 @@ undergoing continuous diffusion but confined to a spherical volume. According to Volino and Dianoux `1 <http://apps.webofknowledge.com/InboundService.do?SID=4Bayo9ujffV3CUc9Qx8&product=WOS&UT=A1980KQ74800002&SrcApp=EndNote&DestFail=http%3A%2F%2Fwww.webofknowledge.com&Init=Yes&action=retrieve&Func=Frame&customersID=ResearchSoft&SrcAuth=ResearchSoft&IsProductCode=Yes&mode=FullRecord>`__, -.. raw:: html +.. math:: - <center> + S(Q,E\equiv \hbar \omega) = A_{0,0}(Q\cdot R) \delta (\omega) + \frac{1}{\pi} \sum_{l=1}^{N-1} (2l+1) A_{n,l} (Q\cdot R) \frac{x_{n,l}^2 D/R^2}{[x_{n,l}^2 D/R^2]^21+\omega^2} -:math:`S(Q,E\equiv \hbar \omega) = A_{0,0}(Q\cdot R) \delta (\omega) + \frac{1}{\pi} \sum_{l=1}^{N-1} (2l+1) A_{n,l} (Q\cdot R) \frac{x_{n,l}^2 D/R^2}{[x_{n,l}^2 D/R^2]^21+\omega^2}`, +.. math:: -:math:`A_{n,l} = \frac{6x_{n,l}^2}{x_{n,l}^2-l(l+1)} [\frac{QRj_{l+1}(QR) - lj_l(QR)}{(QR)^2 - x_{n,l}^2}]^2` - -.. raw:: html - - </center> + A_{n,l} = \frac{6x_{n,l}^2}{x_{n,l}^2-l(l+1)} [\frac{QRj_{l+1}(QR) - lj_l(QR)}{(QR)^2 - x_{n,l}^2}]^2 Because of the spherical symmetry of the problem, the structure factor is expressed in terms of the :math:`j_l(z)` spherical Bessel functions. @@ -35,15 +31,9 @@ Furthermore, the requirement that no particle flux can escape the sphere leads to the following boundary condition\ `2 <http://apps.webofknowledge.com/InboundService.do?SID=4Bayo9ujffV3CUc9Qx8&product=WOS&UT=A1980KQ74800002&SrcApp=EndNote&DestFail=http%3A%2F%2Fwww.webofknowledge.com&Init=Yes&action=retrieve&Func=Frame&customersID=ResearchSoft&SrcAuth=ResearchSoft&IsProductCode=Yes&mode=FullRecord>`__: -.. raw:: html - - <center> +.. math:: -:math:`\frac{d}{dr}j_l(rx_{n,l}/R)|_{r=R}=0 \,\,\,\, \forall l` - -.. raw:: html - - </center> + \frac{d}{dr}j_l(rx_{n,l}/R)|_{r=R}=0 \,\,\,\, \forall l The roots of this set of equations are the numerical coefficients :math:`x_{n,l}`. @@ -52,6 +42,8 @@ The fit function DiffSphere has an elastic part, modelled by fitting function ElasticDiffSphere and an inelastic part, modelled by InelasticDiffSphere. +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/ExpDecay.rst b/Code/Mantid/docs/source/fitfunctions/ExpDecay.rst index 9ab807de422..53b46c05843 100644 --- a/Code/Mantid/docs/source/fitfunctions/ExpDecay.rst +++ b/Code/Mantid/docs/source/fitfunctions/ExpDecay.rst @@ -13,6 +13,8 @@ Exponential decay function is defined by .. math:: \mbox{Height}\times \exp(-\frac{x}{\mbox{Lifetime}}) +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/ExpDecayMuon.rst b/Code/Mantid/docs/source/fitfunctions/ExpDecayMuon.rst index cd54f4c6eb8..401b7bbe0ea 100644 --- a/Code/Mantid/docs/source/fitfunctions/ExpDecayMuon.rst +++ b/Code/Mantid/docs/source/fitfunctions/ExpDecayMuon.rst @@ -13,6 +13,8 @@ Exponential decay for use by Muon scientists defined by .. math:: \mbox{A}\times \exp(-{Lambda} \times {x}) +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/ExpDecayOsc.rst b/Code/Mantid/docs/source/fitfunctions/ExpDecayOsc.rst index d272d4d6736..2e722abc77b 100644 --- a/Code/Mantid/docs/source/fitfunctions/ExpDecayOsc.rst +++ b/Code/Mantid/docs/source/fitfunctions/ExpDecayOsc.rst @@ -11,7 +11,11 @@ Description Oscillation exponential decay function is defined by -.. math:: \mbox{A}\times \exp(-{Lambda} \times {x}) \times cos( 2 \pi \times {Frequency} \times {x} + {Phi} ) +.. math:: + + \mbox{A}\times \exp(-{Lambda} \times {x}) \times cos( 2 \pi \times {Frequency} \times {x} + {Phi} ) + +.. attributes:: .. properties:: diff --git a/Code/Mantid/docs/source/fitfunctions/FickDiffusion.rst b/Code/Mantid/docs/source/fitfunctions/FickDiffusion.rst index 778d6106356..3a7a99d858c 100644 --- a/Code/Mantid/docs/source/fitfunctions/FickDiffusion.rst +++ b/Code/Mantid/docs/source/fitfunctions/FickDiffusion.rst @@ -15,6 +15,8 @@ motions of molecules. Fick's law for diffusion has the form: .. math:: Gamma(Q) = D*Q^2 where D=<l^2>*Q^2/6*tau +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/FlatBackground.rst b/Code/Mantid/docs/source/fitfunctions/FlatBackground.rst index 663069a26af..2502c12c9ee 100644 --- a/Code/Mantid/docs/source/fitfunctions/FlatBackground.rst +++ b/Code/Mantid/docs/source/fitfunctions/FlatBackground.rst @@ -11,7 +11,9 @@ Description A Flat background function is defined as: -:math:`y = A_0` +.. math:: y = A_0 + +.. attributes:: .. properties:: diff --git a/Code/Mantid/docs/source/fitfunctions/GausDecay.rst b/Code/Mantid/docs/source/fitfunctions/GausDecay.rst index 1270001dd5c..e0c452795a2 100644 --- a/Code/Mantid/docs/source/fitfunctions/GausDecay.rst +++ b/Code/Mantid/docs/source/fitfunctions/GausDecay.rst @@ -13,6 +13,8 @@ Gaussian decay for use by Muon scientists defined by .. math:: \mbox{A}\times \exp(-{Sigma}^2 \times {x}^2 ) +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/GausOsc.rst b/Code/Mantid/docs/source/fitfunctions/GausOsc.rst index f4102fc230b..e527a75cef6 100644 --- a/Code/Mantid/docs/source/fitfunctions/GausOsc.rst +++ b/Code/Mantid/docs/source/fitfunctions/GausOsc.rst @@ -13,6 +13,8 @@ Oscillating Gaussian decay for use by Muon scientists defined by .. math:: \mbox{A}\times \exp(-{Sigma}^2 \times {x}^2) \times cos( 2 \pi \times {Frequency} \times {x} + {Phi} ) +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/Gaussian.rst b/Code/Mantid/docs/source/fitfunctions/Gaussian.rst index 8c0a772b0f3..82089b08b88 100644 --- a/Code/Mantid/docs/source/fitfunctions/Gaussian.rst +++ b/Code/Mantid/docs/source/fitfunctions/Gaussian.rst @@ -29,6 +29,8 @@ a TOF peak: .. figure:: /images/GaussianWithConstBackground.png :alt: GaussianWithConstBackground.png +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/HallRoss.rst b/Code/Mantid/docs/source/fitfunctions/HallRoss.rst index 87fbf3c502b..2e38ddb96f3 100644 --- a/Code/Mantid/docs/source/fitfunctions/HallRoss.rst +++ b/Code/Mantid/docs/source/fitfunctions/HallRoss.rst @@ -15,6 +15,8 @@ motions of molecules. The Hall-Ross Jump diffusion model has the form: .. math:: Gamma(Q) = (1-exp(-l*Q^2))/tau +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/IkedaCarpenterPV.rst b/Code/Mantid/docs/source/fitfunctions/IkedaCarpenterPV.rst index 4eaa24738aa..b5e3fff6c6e 100644 --- a/Code/Mantid/docs/source/fitfunctions/IkedaCarpenterPV.rst +++ b/Code/Mantid/docs/source/fitfunctions/IkedaCarpenterPV.rst @@ -69,6 +69,8 @@ peak: .. figure:: /images/IkedaCarpenterPVwithBackground.png :alt: IkedaCarpenterPVwithBackground.png +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/LatticeErrors.rst b/Code/Mantid/docs/source/fitfunctions/LatticeErrors.rst index 62f314c1b0f..a93785e2eb6 100644 --- a/Code/Mantid/docs/source/fitfunctions/LatticeErrors.rst +++ b/Code/Mantid/docs/source/fitfunctions/LatticeErrors.rst @@ -9,6 +9,7 @@ LatticeErrors Description ----------- +.. attributes:: .. properties:: diff --git a/Code/Mantid/docs/source/fitfunctions/LinearBackground.rst b/Code/Mantid/docs/source/fitfunctions/LinearBackground.rst index ce1521a7fd9..ab2326ad977 100644 --- a/Code/Mantid/docs/source/fitfunctions/LinearBackground.rst +++ b/Code/Mantid/docs/source/fitfunctions/LinearBackground.rst @@ -11,11 +11,13 @@ Description A linear background function is defined as: -:math:`y = A_0 + A_1 \times x` +.. math:: y = A_0 + A_1 \times x Note this function is currently named LinearBackground and is likely to be renamed to Linear in the not too distance future. +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/LogNormal.rst b/Code/Mantid/docs/source/fitfunctions/LogNormal.rst index 519766e9d94..7508ae68364 100644 --- a/Code/Mantid/docs/source/fitfunctions/LogNormal.rst +++ b/Code/Mantid/docs/source/fitfunctions/LogNormal.rst @@ -13,6 +13,8 @@ The LogNormal fit function is defined by .. math:: \frac{Height}{x} \cdot exp^{-\frac{ln(x)-Location}{2 \times Scale^2}} +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/Lorentzian.rst b/Code/Mantid/docs/source/fitfunctions/Lorentzian.rst index ade6cf5cc36..3275bd4e228 100644 --- a/Code/Mantid/docs/source/fitfunctions/Lorentzian.rst +++ b/Code/Mantid/docs/source/fitfunctions/Lorentzian.rst @@ -11,15 +11,9 @@ Description A Lorentzian function is defined as: -.. raw:: html +.. math:: - <center> - -:math:`\frac{A}{\pi} \left( \frac{\frac{\Gamma}{2}}{(x-x_0)^2 + (\frac{\Gamma}{2})^2}\right)` - -.. raw:: html - - </center> + \frac{A}{\pi} \left( \frac{\frac{\Gamma}{2}}{(x-x_0)^2 + (\frac{\Gamma}{2})^2}\right) where: @@ -36,6 +30,8 @@ a TOF peak: .. figure:: /images/LorentzianWithConstBackground.png :alt: LorentzianWithConstBackground.png +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/MuonFInteraction.rst b/Code/Mantid/docs/source/fitfunctions/MuonFInteraction.rst index 894bf425db4..11965be3622 100644 --- a/Code/Mantid/docs/source/fitfunctions/MuonFInteraction.rst +++ b/Code/Mantid/docs/source/fitfunctions/MuonFInteraction.rst @@ -30,6 +30,8 @@ and . +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/NeutronBk2BkExpConvPVoigt.rst b/Code/Mantid/docs/source/fitfunctions/NeutronBk2BkExpConvPVoigt.rst index 7f6d28eb648..660d6069592 100644 --- a/Code/Mantid/docs/source/fitfunctions/NeutronBk2BkExpConvPVoigt.rst +++ b/Code/Mantid/docs/source/fitfunctions/NeutronBk2BkExpConvPVoigt.rst @@ -186,6 +186,8 @@ where :math:`erfc(x)` and :math:`E_1(z)` will be calculated numerically. +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/PeakHKLErrors.rst b/Code/Mantid/docs/source/fitfunctions/PeakHKLErrors.rst index 025d3d8e2ff..a8e14b974af 100644 --- a/Code/Mantid/docs/source/fitfunctions/PeakHKLErrors.rst +++ b/Code/Mantid/docs/source/fitfunctions/PeakHKLErrors.rst @@ -15,14 +15,6 @@ the parameters. The original PeaksWorkspace is unchanged. -Attributes -########## - -#. OptRuns : a list of run numbers whose sample orientations are to be - optimized. The list is separated by ``/``. -#. PeakWorkspaceName : The name of the PeaksWorkspace in the - AnalysisDataService - Outputs ####### @@ -31,6 +23,15 @@ The PeaksWorkspace is NOT changed. The argument out in function1D has ,for each peak, the h,k, and l offsets from an integer using the current parameter values. +.. TODO should be an "attributes" tag here + +================= ==== ======= =================================================================================================== +Name Type Default Description +================= ==== ======= =================================================================================================== +OptRuns A list of run numbers whose sample orientations are to be optimized. The list is separated by ``/`` +PeakWorkspaceName The name of the PeaksWorkspace in the AnalysisDataService +================= ==== ======= =================================================================================================== + .. properties:: #. SampleXOffset- XOffset of Goniometer center from instrument center in diff --git a/Code/Mantid/docs/source/fitfunctions/ProductFunction.rst b/Code/Mantid/docs/source/fitfunctions/ProductFunction.rst index 91405ab7259..a4b2d8a5313 100644 --- a/Code/Mantid/docs/source/fitfunctions/ProductFunction.rst +++ b/Code/Mantid/docs/source/fitfunctions/ProductFunction.rst @@ -15,6 +15,8 @@ functions to produce the output. Use this function to construct a product of two or more fitting functions defined in Mantid. A member of a ProductFunction can be a composite function itself. +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/ProductLinearExp.rst b/Code/Mantid/docs/source/fitfunctions/ProductLinearExp.rst index 3eb7fb84ed8..8366c447766 100644 --- a/Code/Mantid/docs/source/fitfunctions/ProductLinearExp.rst +++ b/Code/Mantid/docs/source/fitfunctions/ProductLinearExp.rst @@ -20,4 +20,8 @@ This function may be used with the :ref:`algm-Fit` algorithm. However, it was originally added to Mantid as a named function for the purposes of detector efficiency calibration. +.. attributes:: + +.. properties:: + .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/ProductQuadraticExp.rst b/Code/Mantid/docs/source/fitfunctions/ProductQuadraticExp.rst index 2a267f33205..8c188ee2b2b 100644 --- a/Code/Mantid/docs/source/fitfunctions/ProductQuadraticExp.rst +++ b/Code/Mantid/docs/source/fitfunctions/ProductQuadraticExp.rst @@ -20,4 +20,8 @@ was originally added to Mantid as a named function for the purposes of detector efficiency calibration. Also see `ProductLinearExp <func-ProductLinearExp>`__. +.. attributes:: + +.. properties:: + .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/Quadratic.rst b/Code/Mantid/docs/source/fitfunctions/Quadratic.rst index b2fc567c46a..9d14cc23476 100644 --- a/Code/Mantid/docs/source/fitfunctions/Quadratic.rst +++ b/Code/Mantid/docs/source/fitfunctions/Quadratic.rst @@ -19,6 +19,8 @@ where - A1 - coefficient for linear term - A2 - coefficient for quadratic term +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/SCDPanelErrors.rst b/Code/Mantid/docs/source/fitfunctions/SCDPanelErrors.rst index 52aa4e6ffd7..76b0dc4627c 100644 --- a/Code/Mantid/docs/source/fitfunctions/SCDPanelErrors.rst +++ b/Code/Mantid/docs/source/fitfunctions/SCDPanelErrors.rst @@ -9,54 +9,11 @@ SCDPanelErrors Description ----------- -- This fit function is used for calibrating RectangularDetectors by - adjusting L0, time offset, panel width, - -panel height, panel center, panel orientation, and allow for the sample -being offset from the instrument center. - -Attributes -~~~~~~~~~~ - This fit function is used for calibrating RectangularDetectors by adjusting L0, time offset, panel width, panel height, panel center, panel orientation, and allow for the sample being offset from the instrument center. -Attributes -~~~~~~~~~~ - -- a -The lattice parameter a -- b -The lattice parameter b -- c -The lattice parameter c -- alpha -The lattice parameter alpha in degrees -- beta -The lattice parameter beta in degrees -- gamma -The lattice parameter gamma in degrees -- PeakWorkspaceName-The name of the PeaksWorkspace in the Analysis Data - Service. - - This peak must be indexed by a UB matrix whose lattice parameters - are CLOSE to the above - lattice paramters - -- NGroups-The number of grouping of banks to be considered -- BankNames-a list of banknames separated by "/" or a "!" if the next - bank is in a different group. - - Bank names from the same group belong together("Requirement" for use - with the Fit algorithm) - -- startX- -1 or starting position in the workspace( see below) to start - calculating the outputs -- endX- -1 or 1+ ending position in the workspace( see below) to start - calculating the outputs -- RotateCenters-Boolean. If false Rotations are only about the center - of the banks. Otherwise rotations are ALSO - around center of the instrument( For groups of banks, this will - result in a rotation about the center of all pixels.) -- SampleOffsets-Boolean. A sample being off from the center of the - goniometer can result in larger errors. - Workspace ~~~~~~~~~ @@ -82,6 +39,35 @@ follows: - The theoretical qx,qy,and qz can be obtained by multiplying the hkl for the peak by this matrix(/2π) +Attributes (non-fitting parameters) +----------------------------------- + +.. TODO should be an "attributes" tag here + +================= ======= ======= ================================================================================= +Name Type Default Description +================= ======= ======= ================================================================================= +a The lattice parameter a in Angstroms +b The lattice parameter b in Angstroms +c The lattice parameter c in Angstroms +alpha The lattice parameter alpha in degrees +beta The lattice parameter beta in degrees +gamma The lattice parameter gamma in degrees +PeakWorkspaceName The name of the PeaksWorkspace +NGroups The number of grouping of banks to be considered +BankNames List of banknames to group. +startX -1 or starting position in the workspace to start calculating the outputs +endX -1 or 1+ ending position in the workspace to start calculating the outputs +RotateCenters Boolean If false Rotations are only about the center of the banks. +SampleOffsets Boolean A sample being off from the center of the goniometer can result in larger errors. +================= ======= ======= ================================================================================= + +- PeakWorkspaceName - This peak must be indexed by a UB matrix + whose lattice parametersare CLOSE to the above lattice paramters +- BankNames - Names separated by "/" or a "!" if the next + bank is in a different group. Bank names from the same group + belong together("Requirement" for use with the Fit algorithm) + .. properties:: - l0- the initial Flight path in units from Peak.getL1 diff --git a/Code/Mantid/docs/source/fitfunctions/StaticKuboToyabe.rst b/Code/Mantid/docs/source/fitfunctions/StaticKuboToyabe.rst index 5275eca2e36..52fd2dbb723 100644 --- a/Code/Mantid/docs/source/fitfunctions/StaticKuboToyabe.rst +++ b/Code/Mantid/docs/source/fitfunctions/StaticKuboToyabe.rst @@ -14,6 +14,8 @@ by .. math:: \mbox{A}\times ( \exp(-{Delta}^2 \times {x}^2 / 2 ) \times ( 1 - ( {Delta}^2 \times {x}^2 ) ) \times \frac 2 3 + \frac 1 3 ) +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/StaticKuboToyabeTimesExpDecay.rst b/Code/Mantid/docs/source/fitfunctions/StaticKuboToyabeTimesExpDecay.rst index 6390e95b9af..560c541551a 100644 --- a/Code/Mantid/docs/source/fitfunctions/StaticKuboToyabeTimesExpDecay.rst +++ b/Code/Mantid/docs/source/fitfunctions/StaticKuboToyabeTimesExpDecay.rst @@ -11,7 +11,11 @@ Description Fitting function for use by Muon scientists defined by: -:math:`\mbox{A}\times ( \exp(-{Delta}^2 \times {x}^2 / 2 ) \times ( 1 - ( {Delta}^2 \times {x}^2 ) ) \times \frac 2 3 + \frac 1 3 ) \times \exp(-{Lambda} \times {x})` +.. math:: + + \mbox{A}\times ( \exp(-{Delta}^2 \times {x}^2 / 2 ) \times ( 1 - ( {Delta}^2 \times {x}^2 ) ) \times \frac 2 3 + \frac 1 3 ) \times \exp(-{Lambda} \times {x}) + +.. attributes:: .. properties:: diff --git a/Code/Mantid/docs/source/fitfunctions/StaticKuboToyabeTimesGausDecay.rst b/Code/Mantid/docs/source/fitfunctions/StaticKuboToyabeTimesGausDecay.rst index c20f7909fda..cabb93c4dc4 100644 --- a/Code/Mantid/docs/source/fitfunctions/StaticKuboToyabeTimesGausDecay.rst +++ b/Code/Mantid/docs/source/fitfunctions/StaticKuboToyabeTimesGausDecay.rst @@ -11,7 +11,11 @@ Description Fitting function for use by Muon scientists defined by: -:math:`\mbox{A}\times ( \exp(-{Delta}^2 \times {x}^2 / 2 ) \times ( 1 - ( {Delta}^2 \times {x}^2 ) ) \times \frac 2 3 + \frac 1 3 ) \times \exp(-{Sigma}^2 \times {x}^2 )` +.. math:: + + \mbox{A}\times ( \exp(-{Delta}^2 \times {x}^2 / 2 ) \times ( 1 - ( {Delta}^2 \times {x}^2 ) ) \times \frac 2 3 + \frac 1 3 ) \times \exp(-{Sigma}^2 \times {x}^2 ) + +.. attributes:: .. properties:: diff --git a/Code/Mantid/docs/source/fitfunctions/StretchExp.rst b/Code/Mantid/docs/source/fitfunctions/StretchExp.rst index 334b2eda5ac..95832dc5ba3 100644 --- a/Code/Mantid/docs/source/fitfunctions/StretchExp.rst +++ b/Code/Mantid/docs/source/fitfunctions/StretchExp.rst @@ -13,6 +13,8 @@ The Stretched exponential fit function is defined by .. math:: Height \cdot e^{-(\frac{x}{Lifetime})^{Stretching} } +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/StretchExpMuon.rst b/Code/Mantid/docs/source/fitfunctions/StretchExpMuon.rst index 2dc1ca16edf..479f63ab84b 100644 --- a/Code/Mantid/docs/source/fitfunctions/StretchExpMuon.rst +++ b/Code/Mantid/docs/source/fitfunctions/StretchExpMuon.rst @@ -13,6 +13,8 @@ The Stretched exponential fit function is defined by .. math:: A \cdot e^{ (-{Lambda} \times {x}) ^{Beta} } +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/StretchedExpFT.rst b/Code/Mantid/docs/source/fitfunctions/StretchedExpFT.rst index 4e02d47ccf1..fe18e00725c 100644 --- a/Code/Mantid/docs/source/fitfunctions/StretchedExpFT.rst +++ b/Code/Mantid/docs/source/fitfunctions/StretchedExpFT.rst @@ -16,6 +16,8 @@ Provides the Fourier Transform of the Symmetrized Stretched Exponential Function If the energy units of energy are micro-eV, then tau is expressed in pico-seconds. If E-units are micro-eV then tau is expressed in nano-seconds. +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/TeixeiraWater.rst b/Code/Mantid/docs/source/fitfunctions/TeixeiraWater.rst index 27c4c817c96..d90ac803001 100644 --- a/Code/Mantid/docs/source/fitfunctions/TeixeiraWater.rst +++ b/Code/Mantid/docs/source/fitfunctions/TeixeiraWater.rst @@ -15,6 +15,8 @@ motions of molecules. The this model (1961) has the form: .. math:: Gamma(Q) = D*Q^2/(1 + D*Q^2*tau) +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/ThermalNeutronBk2BkExpConvPVoigt.rst b/Code/Mantid/docs/source/fitfunctions/ThermalNeutronBk2BkExpConvPVoigt.rst index a60868c2a1e..3d98d0c087a 100644 --- a/Code/Mantid/docs/source/fitfunctions/ThermalNeutronBk2BkExpConvPVoigt.rst +++ b/Code/Mantid/docs/source/fitfunctions/ThermalNeutronBk2BkExpConvPVoigt.rst @@ -172,6 +172,8 @@ where :math:`erfc(x)` and :math:`E_1(z)` will be calculated numerically. +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/UserFunction.rst b/Code/Mantid/docs/source/fitfunctions/UserFunction.rst index aea71d45d62..515768778c2 100644 --- a/Code/Mantid/docs/source/fitfunctions/UserFunction.rst +++ b/Code/Mantid/docs/source/fitfunctions/UserFunction.rst @@ -18,6 +18,8 @@ Formula must use 'x' for the x-values. The fitting parameters become defined only after the Formula attribute is set that is why Formula must go first in UserFunction definition. +.. attributes:: + .. properties:: .. categories:: diff --git a/Code/Mantid/docs/source/fitfunctions/Voigt.rst b/Code/Mantid/docs/source/fitfunctions/Voigt.rst index 2cc30d7a547..88d54c392c8 100644 --- a/Code/Mantid/docs/source/fitfunctions/Voigt.rst +++ b/Code/Mantid/docs/source/fitfunctions/Voigt.rst @@ -35,6 +35,8 @@ described in The approximation uses a combination of 4 Lorentzians in two variables to generate good approximation to the true function. +.. attributes:: + .. properties:: .. categories:: -- GitLab