slice_atom.m

This function checks if the coordinates is within the specified limits, and if not sets the x,y,z to nan,nan,nan.

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Contact
Examples

Version

2.11

Contact

Please report problems/bugs to michael.holmboe@umu.se

Examples

atom = slice_atom(atom,limits) % Basic input arguments
atom = slice_atom(atom,limits,1) % Inverts the selected sites

function atom = slice_atom(atom,limits,varargin)

if size(limits,2)==3
    limits(4)=limits(1);
    limits(5)=limits(2);
    limits(6)=limits(3);
    limits(1)=0;
    limits(2)=0;
    limits(3)=0;
end

indxlo=find([atom.x]<limits(1));
indxhi=find([atom.x]>limits(4));

indylo=find([atom.y]<limits(2));
indyhi=find([atom.y]>limits(5));

indzlo=find([atom.z]<limits(3));
indzhi=find([atom.z]>limits(6));

ind = unique([indxlo indxhi indylo indyhi indzlo indzhi]);
molid=unique([atom(intersect([atom.index],ind)).molid]);
ind = ismember([atom.molid],molid);

if nargin == 3 && cell2mat(varargin(1))==1
    ind_all=1:length([atom.x]);
    ind=setdiff(ind_all,ind);
end

atom(ind)=[];

atom=update_atom(atom);

slice_atom.m

Contents

Version

Contact

Examples