From 75b73894b89a89887ef3cd14dc1e767ddccfdc15 Mon Sep 17 00:00:00 2001
From: johannes wasmer <johannes.wasmer@gmail.com>
Date: Mon, 6 Feb 2023 23:09:34 +0100
Subject: [PATCH] atomistic-ml flowchart improve arrows (draw node underpasses
clearer)
---
...-atomistic-ml_poster_2023-02-14_ktikz.tikz | 42 +++++++++++++------
1 file changed, 29 insertions(+), 13 deletions(-)
diff --git a/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.tikz b/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.tikz
index f078f58..544a78f 100644
--- a/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.tikz
+++ b/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.tikz
@@ -19,6 +19,10 @@
%
% Unit conversion did not resolve scaling issue. Instead, exported to pdf and included that as a graphic.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\tikzstyle{v}=[node distance=48.79223]
+\tikzstyle{h}=[node distance=113.811]
+\usetikzlibrary{positioning,shapes,arrows}
+\usetikzlibrary{arrows.meta}
\pgfdeclarelayer{higher}
\pgfdeclarelayer{highest}
\pgfsetlayers{main,higher,highest}
@@ -75,19 +79,31 @@
text=fzjwhite
},
/arr/active/.style={%
- -latex,
+ -{Triangle[scale=0.07em]},
line width=2,
color=helmholtzlightblue,
},
/arr/ml/.style={%
- -latex,
+ -{Triangle[scale=0.07em]},
line width=2,
color=mint,
},
/arr/ml2/.style={%
- -latex,
+ -{Triangle[scale=0.07em]},
+ line width=2,
+ color=mint,
+ },
+ /arr/mlUnderpassOut/.style={% underpass (no arrow, shortened)
+ -{|[scale=0.05em]},
+ line width=2,
+ color=mint,
+ shorten >=0.3em
+ },
+ /arr/mlUnderpassIn/.style={%
+ {|[scale=0.05em]}-{Triangle[scale=0.07em]},
line width=2,
color=mint,
+ shorten <=0.3em
},
/arr/passive/.style={%
-latex,
@@ -153,9 +169,7 @@
% },
}
-\tikzstyle{v}=[node distance=48.79223]
-\tikzstyle{h}=[node distance=113.811]
-\usetikzlibrary{positioning,shapes,arrows}
+
\begin{tikzpicture}[
scale=0.75, transform shape, %font=\ttfamily,
uses/.style={-{angle 60},line width=2,dashed},
@@ -186,11 +200,6 @@
% surrogate-2 (secondary)
\draw node[/box/ml2,v] (surrogate-2) [below=.7 of secondary] {Secondary Emulator\\ {\footnotesize\textit{Magnetic properties}} \logoNeuralNetworkSolidCircledHelmholtzdarkblueBgWhite};
- % \draw[/arr/active] (atoms) |- (surrogate);
- \begin{scope}[transform canvas={yshift=-7}]
- % shift arrow st surrogate input arrows not overlaid
- \draw[/arr/ml2] (representation) -- (surrogate-2) node[midway,right=-4.4,yshift=-6.0] {\textit{\textcolor{mint}{invariant}}};
- \end{scope}
\draw node[/box/active,v] (spirit) [below=.7 of tertiary] {Multiscale simulator\\\logoAiida\hspace{-0.3em}-Spirit\,\logoSpiritCircledXTwo};
\begin{scope}[transform canvas={yshift=-7}]
\draw[/arr/ml2] (surrogate-2) -- (spirit);
@@ -199,6 +208,13 @@
% surrogate-1 (primary)
\draw node[/box/ml,v] (surrogate-1) [below=.7 of primary] {\textbf{Primary Emulator}\\{\scriptsize{\textit{Charge density, potential}}} \logoNeuralNetworkSolidCircledHelmholtzdarkblueBgWhite};
\draw[/arr/ml] (atoms) -- (representation);
+ % \draw[/arr/active] (atoms) |- (surrogate);
+ \begin{scope}[transform canvas={yshift=-7}]
+ % shift arrow st surrogate input arrows not overlaid
+ % \draw[/arr/ml2] (representation) -- (surrogate-2) node[midway,right=-4.4,yshift=-6.0] {\textit{\textcolor{mint}{invariant}}};
+ \draw[/arr/mlUnderpassOut] (representation) -- (surrogate-1) node[midway,right=-2.1,yshift=-6.0] {\textit{\textcolor{mint}{invariant}}};
+ \draw[/arr/mlUnderpassIn] (surrogate-1) -- (surrogate-2);
+ \end{scope}
\begin{scope}[transform canvas={yshift=7}]
% shift arrow st surrogate input arrows not overlaid
\draw[/arr/ml] (representation) -- (surrogate-1) node[midway,right=-2.1,yshift=-7.5] {\textit{\textcolor{mint}{equivariant}}};
@@ -207,10 +223,10 @@
\begin{scope}[transform canvas={xshift=-18}]
\draw[/arr/active] (primary) -- (surrogate-1) node[midway,right=-2.5,yshift=0,rotate=0] {\textit{\textcolor{helmholtzlightblue}{train}}};
\end{scope}
- \draw[/arr/line] [color=mint] (surrogate-1) -- (primary);
+ \draw[/arr/mlUnderpassOut] [color=mint] (surrogate-1) -- (primary);
%
\node[above=.7 of dft, minimum height=0] (dummypreserveheight) {}; % for arrow above in 6-kkr
- \draw[/arr/ml] (primary.north) -- ++(0,.7) -| (dft) node[midway,right=0.3,yshift=-10] {\textit{\textcolor{mint}{\logoAiida feedback}}};
+ \draw[/arr/mlUnderpassIn] (primary.north) -- ++(0,.7) -| (dft) node[midway,right=0.3,yshift=-10] {\textit{\textcolor{mint}{\logoAiida feedback}}};
%
%\draw[/arr/active] (primary) -- (surrogate-2) node[midway,right=-2.3,yshift=19,rotate=-22.5] {\textit{train}};
\begin{scope}[transform canvas={xshift=-0}]
--
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