Skip to content

Commit

Permalink
playing with color lookup tables
Browse files Browse the repository at this point in the history
  • Loading branch information
Kohlbrecher committed Sep 12, 2018
1 parent 2cdd6bf commit d327c0e
Show file tree
Hide file tree
Showing 140 changed files with 183,996 additions and 152,421 deletions.
1 change: 1 addition & 0 deletions .gitignore
Expand Up @@ -62,3 +62,4 @@ saskit/saskit_*
/src/plugins/sin2/include/private.h
/src/plugins/sin2/include/sasfit_sin2.h
/src/fftw/fftw-3.3.8.tar.gz
/sasfit.vfs/lib/app-sasfit/tcl/CET_CLB2.rgb
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file not shown.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file not shown.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added doc/images/form_factor/stars/StarRigidRods.opju
Binary file not shown.
Binary file added doc/images/form_factor/stars/StarRigidRodsIQ.png
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added doc/images/form_factor/stars/starMCimage.png
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added doc/manual/ColorMaps.docx
Binary file not shown.
105 changes: 95 additions & 10 deletions doc/manual/SASfit_pluginsFF_thin_objects.tex
Expand Up @@ -818,7 +818,7 @@ \subsection{P'(Q) for local cylindrical obj.} ~\\
\label{plugin:Pprime4cylindrical}
\begin{enumerate}
\item thin rigid rod
\item wormlike structure
\item worm-like or semi-flexible structure
\end{enumerate}

\clearpage
Expand All @@ -827,7 +827,7 @@ \subsubsection{P'(Q): Rod} ~\\

\begin{figure}[htb]
\begin{center}
\includegraphics[width=0.926\textwidth,height=0.24\textwidth]{../images/form_factor/anisotropic/ThinRod.png}
\includegraphics[width=0.9\textwidth]{../images/form_factor/anisotropic/ThinRod.png}
\end{center}
\caption{Sketch of a thin Rod of Length $L$. The diameter of the rod is assumed to be much smaller than its length.}
\label{fig:ThinRod}
Expand Down Expand Up @@ -861,7 +861,7 @@ \subsubsection{P'(Q): Rod} ~\\
\begin{center}
\includegraphics[width=0.8\textwidth,height=0.55\textwidth]{../images/form_factor/anisotropic/PprimeRod.png}
\end{center}
\caption{Scattering curve for the structure factor "\texttt{P'(Q): Rod}" in combination with a constant background of 1".}
\caption{Scattering curve for the structure factor "\texttt{P'(Q): Rod}" alone without $P_\mathrm{cs}(Q)$..}
\label{fig_IQ:PprimeRod}
\end{figure}

Expand All @@ -880,21 +880,47 @@ \subsubsection{P'(Q): freely joined chain of rods} ~\\
This form factor describes a freely joined chain of infinitesimal thin rigid rods \cite{Hermans1958}.

\begin{align}
P'(Q,L,l_b) &= L^2\left( \frac{2l_b}{L}\left(\Lambda(\beta)-\frac12\left(\frac{\sin(\beta/2)}{\beta/2}\right)^2\right)\right) \\
P'(Q,L,l_b) &= L^2\left( \frac{2l_b}{L}\left(\Lambda(\beta)-\frac12\left(\frac{\sin(\beta/2)}{\beta/2}\right)^2\right)\right)
\label{eq:PprimeFreelyJoinedRods}\\
&+L^2\Lambda^2(\beta)\left(\frac{2l_b}{L}\frac{1}{1-\gamma}-\frac{2l_b^2}{L^2}\frac{1-\gamma^{L/l_b}}{\left(1-\gamma\right)^2}\right) \nonumber \\
\beta &= q l_b \\
\gamma &= \frac{\sin(\beta)}{\beta} \\
\Lambda(\beta) &= \frac{\mathrm{Si}(\beta)}{\beta} \\
\mathrm{Si}(x) &= \int _{0}^{x}{\frac {\sin t}{t}}\,dt
\end{align}

\vspace{5mm}

\hspace{1pt}\\
\underline{Input Parameters for model \texttt{P'(Q) freely joined chain of rods}:}\\
\begin{description}
\item[\texttt{lb}] Kuhn length $l_B$ of semi-flexible worm-like structure
\item[\texttt{L}] contour length $L$ of semi-flexible worm-like structure
\end{description}

\noindent
\underline{Note}
\begin{itemize}
\item This structure factor is supposed to be combined with a form factor with local cylindrical geometry which are implemented as form factor plugins
under "\texttt{[by plugin|thin obj.|Pcs(Q): local cylindrical obj.]}".
\item scattering function is normalized to $P'(Q,L,l_b) \xrightarrow[Q\rightarrow 0]{} L^2$
\end{itemize}

\begin{figure}[htb]
\begin{center}
\includegraphics[width=0.8\textwidth]{../images/form_factor/polymer_semiflexible/PprimeFreelyJoinedRods.png}
\end{center}
\caption{Scattering curve for the structure factor "\texttt{P'(Q): freely joined chain of rods}" alone without $P_\mathrm{cs}(Q)$.}
\label{fig_IQ:PprimeFreelyJoinedChainOfRods}
\end{figure}

\clearpage
\subsubsection{P'(Q): Koyama worm} ~\\
\label{plugin:Pprime4koyama}
\cite{Koyama1973,Koyama1974,Poetschke2000}
\begin{align}
P'(Q,L,l_b) &= L^2\frac{2}{X^2}\int_0^X (X-x)\phi(x)\mathrm{d}x \\
X &= \frac{2L}{l_b} \\
X &= \frac{2L}{l_b} \label{eq:PprimeKoyama}\\
\phi(x) &= \exp\left(-\frac{s^2}{3}xf(x)\right) \frac{\sin(sxg(x))}{sxg(x)} \\
s &= \frac12 ql_b \\
xf(x) &= \frac{2\langle r^2\rangle}{l_b^2} - \frac12 x^2g^2(x) \\
Expand All @@ -904,6 +930,31 @@ \subsubsection{P'(Q): Koyama worm} ~\\
\langle r^4\rangle &= \frac{l_b^4}{4} \left\{\frac53 x^2 -\frac{52}{9}x-\frac{2}{27}\left(1-e^{-3x}\right)+8\left(1-e^{-x}\right)-2xe^{-x}\right\}
\end{align}

\vspace{5mm}

\hspace{1pt}\\
\underline{Input Parameters for model \texttt{P'(Q) Koyama worm}:}\\
\begin{description}
\item[\texttt{lb}] Kuhn length $l_B$ of semi-flexible worm-like structure
\item[\texttt{L}] contour length $L$ of semi-flexible worm-like structure
\end{description}

\noindent
\underline{Note}
\begin{itemize}
\item This structure factor is supposed to be combined with a form factor with local cylindrical geometry which are implemented as form factor plugins
under "\texttt{[by plugin|thin obj.|Pcs(Q): local cylindrical obj.]}".
\item scattering function is normalized to $P'(Q,L,l_b) \xrightarrow[Q\rightarrow 0]{} L^2$
\end{itemize}

\begin{figure}[htb]
\begin{center}
\includegraphics[width=0.8\textwidth]{../images/form_factor/polymer_semiflexible/PprimeKoyamaWorm.png}
\end{center}
\caption{Scattering curve for the structure factor "\texttt{P'(Q): Koyama worm}" alone without $P_\mathrm{cs}(Q)$.}
\label{fig_IQ:PprimeKoyamaWorm}
\end{figure}

\clearpage
\subsubsection{P'(Q): Kholodenko's worm} ~\\
\label{plugin:Pprime4kohlodenko}
Expand All @@ -924,7 +975,7 @@ \subsubsection{P'(Q): Kholodenko's worm} ~\\
correctly the rigid-rod limit and the random-coil limit.
Defining $x = 3L/l_b$ ($L$: contour length, $l_b$: Kuhn length), it is given by
\begin{align}
P_0(Q,L,l_b) &= \frac{2}{x} \left[I_{(1)} -\frac{1}{x}I_{(2)}\right]
P'(Q,L,l_b) &= L^2\frac{2}{x} \left[I_{(1)} -\frac{1}{x}I_{(2)}\right]
\label{eq:KholodenkoPprime}
\end{align}
where
Expand Down Expand Up @@ -961,8 +1012,17 @@ \subsubsection{P'(Q): Kholodenko's worm} ~\\
\item This structure factor is supposed to be combined with a form factor with local cylindrical geometry which are implemented as form factor plugins
under "\texttt{[by plugin|thin obj.|Pcs(Q): local cylindrical obj.]}".
\item The equivalent solution of J.S. Pedersen \cite{Pedersen96Macrom} would be the expressions of wormlike structures without excluded volume effects.
\item scattering function is normalized to $P'(Q,L,l_b) \xrightarrow[Q\rightarrow 0]{} L^2$
\end{itemize}

\begin{figure}[htb]
\begin{center}
\includegraphics[width=0.8\textwidth]{../images/form_factor/polymer_semiflexible/PprimeKholodenkoWorm.png}
\end{center}
\caption{Scattering curve for the structure factor "\texttt{P'(Q): Kholodenko worm}" alone without $P_\mathrm{cs}(Q)$.}
\label{fig_IQ:PprimeKholodenkoWorm}
\end{figure}

\clearpage
\subsubsection{P'(Q): wormlike PS1} ~\\
\label{plugin:Pprime4wormPS1}
Expand Down Expand Up @@ -1155,16 +1215,25 @@ \subsubsection{P'(Q): wormlike PS1} ~\\
under "\texttt{[by plugin|thin obj.|Pcs(Q): local cylindrical obj.]}".
\end{itemize}

\begin{figure}[htb]
\begin{center}
\includegraphics[width=0.8\textwidth]{../images/form_factor/polymer_semiflexible/PprimeWormPS1.png}
\end{center}
\caption{Scattering curve for the structure factor "\texttt{P'(Q): Worm(PS1)}" alone without $P_\mathrm{cs}(Q)$.}
\label{fig_IQ:PprimeWormPS1}
\end{figure}

\clearpage
\subsubsection{P'(Q): wormlike PS2} ~\\
\label{plugin:Pprime4wormPS2}
For this version of the wormlike structure \cite{Pedersen96Macrom} parameterized the structure factor in one for long and short wormlike micelles depending on their ratio $n_b=\frac{L}{l_B}$ is larger or smaller than 2.
\begin{align}
S_\mathrm{PS2}(Q,L,l_B) &=
S_\mathrm{PS2}(Q,L,l_B) &= L^2
\begin{cases}
S_\mathrm{SB}(Q,L,l_B) f_1 + S_\mathrm{loc}(Q,L,1) (1-f_1) & \mbox{ for~} n_b > 2 \\
S_\mathrm{SB}(Q,L,l_B) f_1 + S_\mathrm{loc}(Q,L,l_B1) (1-f_1) & \mbox{ for~} n_b > 2 \\
S_\mathrm{Debye}(Q,Q^2\langle R_g^2\rangle_0) f_2 + S_\mathrm{loc}(Q,L,l_B,a_1) (1-f_2) & \mbox{ for~} n_b \leq 2
\end{cases}
\label{eq:PprimePS2}
\end{align}
with $\langle R_g^2\rangle_0 = Ll_B/6\left(1-\frac{3}{2 n_b}
+\frac{3}{2 n_b^2}
Expand Down Expand Up @@ -1211,6 +1280,13 @@ \subsubsection{P'(Q): wormlike PS2} ~\\
under "\texttt{[by plugin|thin obj.|Pcs(Q): local cylindrical obj.]}".
\end{itemize}

\begin{figure}[htb]
\begin{center}
\includegraphics[width=0.8\textwidth]{../images/form_factor/polymer_semiflexible/PprimeWormPS2.png}
\end{center}
\caption{Scattering curve for the structure factor "\texttt{P'(Q): Worm(PS2)}" alone without $P_\mathrm{cs}(Q)$.}
\label{fig_IQ:PprimeWormPS2}
\end{figure}

\clearpage
\subsubsection{P'(Q): wormlike PS3} ~\\
Expand Down Expand Up @@ -1242,11 +1318,12 @@ \subsubsection{P'(Q): wormlike PS3} ~\\
\end{align}
with $a_3=2.02$, $a_4=3.06$, and $p_3=0.44$.
\begin{align}
S(Q,L,l_B) &=
S(Q,L,l_B) &= L^2
\begin{cases}
L^2 S_{\textrm{small~} Q}(Q,L,l_B)& \mbox{for~} Ql_B<q_0 \\
L^2 \left(\frac{a_1}{(Ql_B)^{p_1}}+\frac{a_2}{(Ql_B)^{p_2}}+\frac{\pi}{QL}\right)& \mbox{for~} Ql_B\geq q_0 \\
\end{cases}\\
\end{cases}
\label{eq:PprimePS3}\\
p_1 &=
\begin{cases}
4.95 & \mbox{for~} L > 4l_B \wedge \mbox{without excl. vol.} \\
Expand Down Expand Up @@ -1310,6 +1387,14 @@ \subsubsection{P'(Q): wormlike PS3} ~\\
under "\texttt{[by plugin|thin obj.|Pcs(Q): local cylindrical obj.]}".
\end{itemize}

\begin{figure}[htb]
\begin{center}
\includegraphics[width=0.8\textwidth]{../images/form_factor/polymer_semiflexible/PprimeWormPS3.png}
\end{center}
\caption{Scattering curve for the structure factor "\texttt{P'(Q): Worm(PS3)}" alone without $P_\mathrm{cs}(Q)$.}
\label{fig_IQ:PprimeWormPS3}
\end{figure}

\clearpage
\subsection{local planar obj.} ~\\
\label{plugin:LocalPlanar)}
Expand Down

0 comments on commit d327c0e

Please sign in to comment.