[Tex/LaTex] Create custom colored PGFPlots ybar with consistent spacing

colorpgfplotstikz-pgf

I am trying to create a ybar graph that has consistent spacing between a set of columns. I have obtained the color scheme I need in the following example, based off guidance from this question on here

\documentclass{memoir}
\usepackage[left=1.5in, right=1in, top=1in, bottom=1in, headsep=0.1in, head=0.4in, includehead, includefoot, marginparsep=0in, marginparwidth=0in,footskip=0.4in]{geometry}
\usepackage{graphicx}
\usepackage{pgfplots}
\usepackage{xcolor}
\pagecolor{black}
\pgfplotsset{width=7cm,compat=1.5.1}
\usepackage{siunitx}
\sisetup{inter-unit-product={}\cdot{},sticky-per=true,multi-part-units=single,separate-uncertainty=true,list-units=single,range-units=single,detect-all,detect-weight=true,detect-inline-weight=math}

\DeclareSIUnit\calorie{cal}
\DeclareSIUnit\kcal{\kilo\calorie}
\DeclareSIUnit\kcalpmole{kcal\per\mole}

\definecolor{hoyemagenta}{HTML}{FF3FFF}
\definecolor{hoyegreen}{HTML}{31FF31}

\begin{document}
\begin{tikzpicture}
    \begin{axis}[
        color=white,
        width=\textwidth,
        ybar,
        enlarge x limits=0.07,
        ylabel={Free Energy Difference (\si{\kcalpmole})},
        ylabel/.style={color=white},
        xtick={1,2a,2b,3,4a,4b,5a,5b,6a,6b,6c,7},
        every axis/.style={color=white},
        ymax=40,
        ymin=-110,
        xtick pos=left,
        nodes near coords,
        nodes/.style={color=white},
        nodes near coords align={vertical},
        x tick label style={rotate=45,anchor=east,color=white},
        symbolic x coords={1,2a,2b,3,4a,4b,5a,5b,6a,6b,6c,7}
        ]
        \addplot[fill=hoyegreen,]
        coordinates{
        (1,-48.93)
        (2b,-13.62)
        (4b,-46.85)
        (5b,-42.27)
        (6b,-55.74)};
        \addplot[fill=hoyemagenta]
        coordinates{        
        (2a,-26.90)
        (3,31.78)
        (4a,-49.25)
        (5a,-49.71)
        (6a,-44.14)
        (6c,-51.07)};
        \addplot[fill=yellow]
        coordinates{(7,-97.69)};
    \end{axis}
\end{tikzpicture}
\end{document}

However, as you can see, because I am using 3 different plots, each x value makes room for all 3 plots, which is obviously not what I want. I found this question, describing the use of a custom style with created discard if and discard if not commands. My attempt at that is not successful (code below). I keep getting warnings about no coordinates left, or they've all been filtered away. I thought I could use this method, and just have an individual plot with a discard if not call for each plot.

\documentclass{memoir}
\usepackage[left=1.5in, right=1in, top=1in, bottom=1in, headsep=0.1in, head=0.4in, includehead, includefoot, marginparsep=0in, marginparwidth=0in,footskip=0.4in]{geometry}
\usepackage{pgfplots}
\usepackage{xcolor}
\usepackage{filecontents}
\pagecolor{black}
\pgfplotsset{width=7cm,compat=1.5.1}
\usepackage{siunitx}
\sisetup{inter-unit-product={}\cdot{},sticky-per=true,multi-part-units=single,separate-uncertainty=true,list-units=single,range-units=single,detect-all,detect-weight=true,detect-inline-weight=math}

\DeclareSIUnit\calorie{cal}
\DeclareSIUnit\kcal{\kilo\calorie}
\DeclareSIUnit\kcalpmole{kcal\per\mole}

\definecolor{hoyemagenta}{HTML}{FF3FFF}
\definecolor{hoyegreen}{HTML}{31FF31}

\pgfplotsset{
    discard if/.style 2 args={
        x filter/.code={
            \edef\tempa{\thisrow{#1}}
            \edef\tempb{#2}
            \ifx\tempa\tempb
                \def\pgfmathresult{inf}
            \fi
        }
    },
    discard if not/.style 2 args={
        x filter/.code={
            \edef\tempa{\thisrow{keyword}}
            \edef\tempb{TestDetails}
            \ifx\tempa\tempb
            \else
                \def\pgfmathresult{inf}
            \fi
        }
    }
}


\begin{document}

\begin{filecontents}{data.csv}
{Compound},{Energy}
1,-48.93
2a,-26.90
2b,-13.62
3,31.78
4a,-49.25
4b,-46.85
5a,-49.71
5b,-42.27
6a,-44.14
6b,-55.74
6c,-51.07
7,-97.69
\end{filecontents}
\pgfplotstablegetrowsof{data.csv}

\begin{tikzpicture}
    \begin{axis}[
        color=white,
        width=\textwidth,
        ybar,/pgf/bar shift=0pt,
        enlarge x limits=0.07,
        ylabel={Free Energy Difference (\si{\kcalpmole})},
        ylabel/.style={color=white},
        xtick={1,2a,2b,3,4a,4b,5a,5b,6a,6b,6c,7},
        every axis/.style={color=white},
        ymax=40,
        ymin=-110,
        xtick pos=left,
        nodes near coords,
        nodes/.style={color=white},
        nodes near coords align={vertical},
        x tick label style={rotate=45,anchor=east,color=white},
        xticklabels={1,2a,2b,3,4a,4b,5a,5b,6a,6b,6c,7}
        ]
        \addplot[fill=hoyegreen,discard if not={Compound}{1}] table[x expr=\coordindex,x index=0, col sep=comma]{data.csv};
        \addplot[fill=hoyemagenta,discard if not={Compound}{2a}] table[x expr=\coordindex,x index=0, col sep=comma]{data.csv};
        \addplot[fill=hoyegreen,discard if not={Compound}{2b}] table[x expr=\coordindex,x index=0, col sep=comma]{data.csv};
        \addplot[fill=hoyemagenta,discard if not={Compound}{3}] table[x expr=\coordindex,x index=0, col sep=comma]{data.csv};
        \addplot[fill=hoyemagenta,discard if not={Compound}{4a}] table[x expr=\coordindex,x index=0, col sep=comma]{data.csv};
        \addplot[fill=hoyegreen,discard if not={Compound}{4b}] table[x expr=\coordindex,x index=0, col sep=comma]{data.csv};
        \addplot[fill=hoyemagenta,discard if not={Compound}{5a}] table[x expr=\coordindex,x index=0, col sep=comma]{data.csv};
        \addplot[fill=hoyegreen,discard if not={Compound}{5b}] table[x expr=\coordindex,x index=0, col sep=comma]{data.csv};
        \addplot[fill=hoyemagenta,discard if not={Compound}{6a}] table[x expr=\coordindex,x index=0, col sep=comma]{data.csv};
        \addplot[fill=hoyegreen,discard if not={Compound}{6b}] table[x expr=\coordindex,x index=0, col sep=comma]{data.csv};
        \addplot[fill=hoyemagenta,discard if not={Compound}{6c}] table[x expr=\coordindex,x index=0, col sep=comma]{data.csv};
        \addplot[fill=hoyegreen,discard if not={Compound}{7}] table[x expr=\coordindex,x index=0, col sep=comma]{data.csv};
    \end{axis}
\end{tikzpicture}
\end{document}

Here is code for the plot without any coloring, but the ideal format and spacing that it should look like:

\documentclass{memoir}
\usepackage[left=1.5in, right=1in, top=1in, bottom=1in, headsep=0.1in, head=0.4in, includehead, includefoot, marginparsep=0in, marginparwidth=0in,footskip=0.4in]{geometry}
\usepackage{graphicx}
\usepackage{pgfplots}
\usepackage{xcolor}
\pagecolor{black}
\pgfplotsset{width=7cm,compat=1.5.1}
\usepackage{siunitx}
\sisetup{inter-unit-product={}\cdot{},sticky-per=true,multi-part-units=single,separate-uncertainty=true,list-units=single,range-units=single,detect-all,detect-weight=true,detect-inline-weight=math}

\DeclareSIUnit\calorie{cal}
\DeclareSIUnit\kcal{\kilo\calorie}
\DeclareSIUnit\kcalpmole{kcal\per\mole}

\begin{document}
\begin{tikzpicture}
    \begin{axis}[
        color=white,
        width=\textwidth,
        ybar,
        enlarge x limits=0.07,
        ylabel={Free Energy Difference (\si{\kcalpmole})},
        ylabel/.style={color=white},
        xtick=data,
        every axis/.style={color=white},
        ymax=40,
        ymin=-110,
        xtick pos=left,
        nodes near coords,
        nodes/.style={color=white},
        nodes near coords align={vertical},
        x tick label style={rotate=45,anchor=east,color=white},
        xticklabels={1,2a,2b,3,4a,4b,5a,5b,6a,6b,6c,7}
        ]
        \addplot[fill=white] table [
            x expr=\coordindex, % Use the row number as x coordinate
            header=false    % Do not assume the first row to contain column names
        ] {
        nmeimid         -48.93
        co2lactone      -26.90
        co2carbene      -13.62
        n2               31.78
        meNCOlactone    -49.25
        meNCOcarbene    -46.85        
        cs2lactone      -49.71
        cs2carbene      -42.27
        meNCSlactoneS   -44.14
        meNCScarbene    -55.74
        meNCSlactoneN   -51.07                  
        colactone       -97.69
        };
    \end{axis}
\end{tikzpicture}
\end{document}

So how do I merge the ideas to get consistent spacing and the correct numbering on the bottom, while achieving the color scheme that I need?

Best Answer

If you use ybar in the axis options, each plot series will get a different amount of bar shift to keep the bars from overlapping. Usually, that's exactly what you want. However, in your case, you'll want to set bar shift=0pt in the axis options:

\documentclass{memoir}
\usepackage[left=1.5in, right=1in, top=1in, bottom=1in, headsep=0.1in, head=0.4in, includehead, includefoot, marginparsep=0in, marginparwidth=0in,footskip=0.4in]{geometry}
\usepackage{graphicx}
\usepackage{pgfplots}
\usepackage{xcolor}
\pagecolor{black}
\pgfplotsset{width=7cm,compat=1.5.1}
\usepackage{siunitx}
\sisetup{inter-unit-product={}\cdot{},sticky-per=true,multi-part-units=single,separate-uncertainty=true,list-units=single,range-units=single,detect-all,detect-weight=true,detect-inline-weight=math}

\DeclareSIUnit\calorie{cal}
\DeclareSIUnit\kcal{\kilo\calorie}
\DeclareSIUnit\kcalpmole{kcal\per\mole}

\definecolor{hoyemagenta}{HTML}{FF3FFF}
\definecolor{hoyegreen}{HTML}{31FF31}

\begin{document}
\begin{tikzpicture}
    \begin{axis}[
        color=white,
        width=\textwidth,
        ybar, bar shift=0pt,
        enlarge x limits=0.07,
        ylabel={Free Energy Difference (\si{\kcalpmole})},
        ylabel/.style={color=white},
        xtick={1,2a,2b,3,4a,4b,5a,5b,6a,6b,6c,7},
        every axis/.style={color=white},
        ymax=40,
        ymin=-110,
        xtick pos=left,
        nodes near coords,
        nodes/.style={color=white},
        nodes near coords align={vertical},
        x tick label style={rotate=45,anchor=east,color=white},
        symbolic x coords={1,2a,2b,3,4a,4b,5a,5b,6a,6b,6c,7}
        ]
        \addplot[fill=hoyegreen,]
        coordinates{
        (1,-48.93)
        (2b,-13.62)
        (4b,-46.85)
        (5b,-42.27)
        (6b,-55.74)};
        \addplot[fill=hoyemagenta]
        coordinates{        
        (2a,-26.90)
        (3,31.78)
        (4a,-49.25)
        (5a,-49.71)
        (6a,-44.14)
        (6c,-51.07)};
        \addplot[fill=yellow]
        coordinates{(7,-97.69)};
    \end{axis}
\end{tikzpicture}
\end{document}

If you want to change the colour of an individual bar, you can use the approach described in your second link, but there were a couple of errors in the code.

\documentclass{memoir}
\usepackage[left=1.5in, right=1in, top=1in, bottom=1in, headsep=0.1in, head=0.4in, includehead, includefoot, marginparsep=0in, marginparwidth=0in,footskip=0.4in]{geometry}
\usepackage{pgfplots}
\usepackage{xcolor}
\usepackage{filecontents}
\pagecolor{black}
\pgfplotsset{width=7cm,compat=1.5.1}
\usepackage{siunitx}
\sisetup{inter-unit-product={}\cdot{},sticky-per=true,multi-part-units=single,separate-uncertainty=true,list-units=single,range-units=single,detect-all,detect-weight=true,detect-inline-weight=math}

\DeclareSIUnit\calorie{cal}
\DeclareSIUnit\kcal{\kilo\calorie}
\DeclareSIUnit\kcalpmole{kcal\per\mole}

\definecolor{hoyemagenta}{HTML}{FF3FFF}
\definecolor{hoyegreen}{HTML}{31FF31}

\pgfplotsset{
    discard if/.style 2 args={
        x filter/.code={
            \edef\tempa{\thisrow{#1}}
            \edef\tempb{#2}
            \ifx\tempa\tempb
                \def\pgfmathresult{inf}
            \fi
        }
    },
    discard if not/.style 2 args={
        x filter/.code={
            \edef\tempa{\thisrow{#1}}
            \edef\tempb{#2}
            \ifx\tempa\tempb
            \else
                \def\pgfmathresult{inf}
            \fi
        }
    }
}


\begin{document}

\begin{filecontents}{data.csv}
{Compound},{Energy}
1,-48.93
2a,-26.90
2b,-13.62
3,31.78
4a,-49.25
4b,-46.85
5a,-49.71
5b,-42.27
6a,-44.14
6b,-55.74
6c,-51.07
7,-97.69
\end{filecontents}
\pgfplotstablegetrowsof{data.csv}

\begin{tikzpicture}
    \begin{axis}[
        color=white,
        width=\textwidth,
        ybar,/pgf/bar shift=0pt,
        enlarge x limits=0.07,
        ylabel={Free Energy Difference (\si{\kcalpmole})},
        ylabel/.style={color=white},
        every axis/.style={color=white},
        ymax=40,
        ymin=-110,
        xtick pos=left,
        nodes near coords,
        nodes/.style={color=white},
        nodes near coords align={vertical},
        x tick label style={rotate=45,anchor=east,color=white},
        xtick={1,...,11},
        xticklabels={1,2a,2b,3,4a,4b,5a,5b,6a,6b,6c,7}
        ]
        \addplot[fill=hoyegreen, discard if not={Compound}{4b}] table[x expr=\coordindex, col sep=comma]{data.csv};
        \addplot[fill=hoyemagenta, discard if={Compound}{4b}] table[x expr=\coordindex, col sep=comma]{data.csv};
    \end{axis}
\end{tikzpicture}
\end{document}

Related Solutions

[Tex/LaTex] How to mix an “ybar” and an “ybar stacked” with pgfplots

You can use a normal ybar stacked plot for this.

For complicated plots like this, it makes sense to provide the data as a table using \pgfplotstableread{< data >}{<\macroname>}.

For getting the grouping right, I've introduced a column X that contains the horizontal positions of the plots.

The labels of the plots can be provided using xtick=data, xticklabels from table={\datatable}{Name}. The key xtick data makes sure that each bar gets a label.

For placing group labels, I've defined a new key draw group line={<group column>}{<group value>}{<group label>}{<vertical offset>}{<line extension>}. This key could certainly be improved by using styles to make it more comfortable to use, but it works quite well for this application.

\documentclass{article}
\usepackage{pgfplots, pgfplotstable}


\newcounter{groupcount}
\pgfplotsset{
    draw group line/.style n args={5}{
        after end axis/.append code={
            \setcounter{groupcount}{0}
            \pgfplotstableforeachcolumnelement{#1}\of\datatable\as\cell{%
                \def\temp{#2}
                \ifx\temp\cell
                    \ifnum\thegroupcount=0
                        \stepcounter{groupcount}
                        \pgfplotstablegetelem{\pgfplotstablerow}{X}\of\datatable
                        \coordinate [yshift=#4] (startgroup) at (axis cs:\pgfplotsretval,0);
                    \else
                        \pgfplotstablegetelem{\pgfplotstablerow}{X}\of\datatable
                        \coordinate [yshift=#4] (endgroup) at (axis cs:\pgfplotsretval,0);
                    \fi
                \else
                    \ifnum\thegroupcount=1
                        \setcounter{groupcount}{0}
                        \draw [
                            shorten >=-#5,
                            shorten <=-#5
                        ] (startgroup) -- node [anchor=base, yshift=0.5ex] {#3} (endgroup);
                    \fi
                \fi
            }
            \ifnum\thegroupcount=1
                        \setcounter{groupcount}{0}
                        \draw [
                            shorten >=-#5,
                            shorten <=-#5
                        ] (startgroup) -- node [anchor=base, yshift=0.5ex] {#3} (endgroup);
            \fi
        }
    }
}

\begin{document}
\begin{tikzpicture}
\pgfplotstableread{
X   Gp  C1  C2  Name        Zn      Pb
1   1A  0.2 3   Duracem     47.2    12
2   1A  0.2 3   Technocem   39      11
3   1A  0.2 3   Alipre      28      13
5   1A  0.2 8   Duracem     16.2    12
6   1A  0.2 8   Technocem   15      15
8   1A  0.5 3   Duracem     89      17
9   1A  0.5 3   Technocem   96      19
10  1A  0.5 3   Alipre      49.6    20
12  1A  0.5 8   Duracem     22.9    12
13  1A  0.5 8   Technocem   15.1    11
15  2A  0.2 3   Duracem     105     10
16  2A  0.2 3   Technocem   83      17  
17  2A  0.2 3   Alipre      47      20
19  2A  0.2 8   Duracem     19.5    21
20  2A  0.2 8   Technocem   24.4    8
}\datatable

\begin{axis}[
    axis lines*=left, ymajorgrids,
    width=12cm, height=6cm,
    ymin=0,
    ybar stacked,
    bar width=8pt,
    xtick=data,
    xticklabels from table={\datatable}{Name},
    xticklabel style={rotate=90,xshift=-10ex,anchor=mid east},
    draw group line={C2}{3}{3\,\%}{-10ex}{4pt},
    draw group line={C2}{8}{8\,\%}{-10ex}{4pt},
    draw group line={C1}{0.2}{0.2\,\%}{-7ex}{5pt},
    draw group line={C1}{0.5}{0.5\,\%}{-7ex}{5pt},
    draw group line={Gp}{1A}{1A}{-4ex}{7pt},
    draw group line={Gp}{2A}{2A}{-4ex}{7pt},
    after end axis/.append code={
        \path [anchor=base east, yshift=0.5ex]
            (rel axis cs:0,0) node [yshift=-10ex] {Conc 1}
            (rel axis cs:0,0) node [yshift=-7ex] {Conc 2}
            (rel axis cs:0,0) node [yshift=-4ex] {Group};
    }
]

\addplot table [x=X, y=Zn] {\datatable}; \addlegendentry{Zn}
\addplot table [x=X, y=Pb] {\datatable}; \addlegendentry{Pb}

\end{axis}
\end{tikzpicture}


\end{document}

[Tex/LaTex] pgfplots ybar – how to adjust spacing between sets of data

This is not yet an answer. I simply didn't understand the question very well.

What's wrong with the figure produced by the following code?

\documentclass{standalone}

\usepackage{pgfplots}
\pgfplotsset{compat=newest}

\begin{document}

\begin{tikzpicture}
\begin{axis}[grid=major,xtick={2008,2009,...,2016},
    x tick label style={rotate=90,
        /pgf/number format/1000 sep=},
    ylabel=Population,
    enlargelimits=0.15,
    legend style={at={(0.5,1.15)},
        anchor=north,legend columns=-1},
    ybar,
    bar width=3pt,
]
\addplot
    coordinates {(2009,200) (2010,-100) (2011,-100) (2012,-100) (2013,-100) (2014,1700) (2015,-100)};
\addplot
    coordinates {(2009,-100) (2010,-100) (2011,-100) (2012,-100) (2013,60) (2014,-100) (2015,-100)};
\addplot
    coordinates {(2009,-100) (2010,-100) (2011,-100) (2012,-100) (2013,-100) (2014,-100) (2015,30)};
\addplot
    coordinates {(2009,-100) (2010,-100) (2011,-100) (2012,-100) (2013,-100) (2014,-100) (2015,2400)};

\legend{First,Second,Third,Fourth}
\end{axis}
\end{tikzpicture}


\end{document}

I used your data as well as other data with constant negative value in order to make you see that the bars are correctly centered with respect to sticks. The resulting figure is the following:

Best Answer

Related Solutions

[Tex/LaTex] How to mix an “ybar” and an “ybar stacked” with pgfplots

[Tex/LaTex] pgfplots ybar – how to adjust spacing between sets of data

Related Question