Matlab Tutorials | Examples

Practice 11:

Files: Periodic Table – Electron Configurations

You are given a file named “PeriodicTable.txt”. The format of the file is as follows:

The third column of this file, electron configuration, gives the arrangement of the electrons in various atomic orbitals around the nucleus. For simplicity, the configuration gives a noble gas symbol (in square brackets) plus the orbitals that need to be added on top of it.

Write a MATLAB program that does the following jobs:

Reads the entire periodic table file into variable(s).
1. A pop-up file selection dialog box should be displayed for choosing the TXT file to be read from.
2. You should check for errors that might occur while opening the file. If the filer dialog box is cancelled, stop the program. If there is any error while opening the file, an explanation describing the nature of the error should be printed into the command window, and the program should be terminated.
3. The first line of the file is a header line, and should be skipped.
4. You can decide to read the file into any kind of variable—matrix, record structure array, cell array.
5. You should assume that number of lines in the file changes as more elements are added; so you should not assume a fixed number of lines in the file, but rather read the file until end-of-file.
Expand the electron configurations of all atoms, and determine the atomic number for each by adding up the electron counts in all s, p, d, and f atomic orbitals. Note that atomic number of an element is NOT equal to its sequence in our list, as some elements are omitted from the given file.
In your list of chemical elements, add a string field to describe the group of the element. For elements that belong to the groups Alkali Metals, Alkali Earth Metals, Halogens, and Noble Gases, change their group value to “A”, “E”, “H”, and “N”, respectively; for all others, leave this value as blank.
1. Noble gases have six electrons in outermost p-orbital (except Helium, which you should include as an exceptional noble gas).
2. Alkali metals follow noble gases in atomic number.
3. Alkali earth metals follow alkali metals in atomic number.
4. Halogens come just before noble gases in atomic number. Note that Hydrogen is an exception to this rule; it is not a Halogen.

4. From
Earth Metals, Halogens, Noble Gases into four separate files in your MATLAB work folder. Four fields should be written into the output file in tabular format: Symbol, element name, atomic number, and expanded electron configuration. Files should be named as follows (no need to ask for their names):

your list of elements, write those that belong to the groups Alkali Metals, Alkali

	Group		File name
Alkali Metals		Group1A.txt
Alkali Earth Metals		Group2A.txt
Halogens		Group7A.txt
Noble Gases		Group8A.txt

The file Group1A.txt should be laid out exactly as follows. The other individual raw data files (Group2A.txt, Group7A.txt, Group8A.txt) should have similar format as Group1A.txt.

Files:https://drive.google.com/open?id=1lLHt_BW1z3f2XNUuMncKpTPKGbj86LGF

Solutions:

clear
clc
fclose all;
j=1;
a=1;
b=1;
c=1;
d=1;
flag1=false;
flag2=false;
% Open input file
[file,folder]= uigetfile('*.txt','Select input file'); % Get the name of txt file from user
if file==0
    return
end
[fin,err]= fopen([folder file],'r'); % Open file for read
if fin==-1
    disp(err);
    return
end
[fout1,err]= fopen('Group1A.txt','w');% Open files for write
if fout1==-1
    disp(err);
    fclose all;
    return
end
[fout2,err]= fopen('Group2A.txt','w');
if fout2==-1
    disp(err);
    fclose all;
    return
end
[fout7,err]= fopen('Group7A.txt','w');
if fout7==-1
    disp(err);
    fclose all;
    return
end
[fout8,err]= fopen('Group8A.txt','w');
if fout8==-1
    disp(err);
    fclose all;
    return
end
fgetl(fin);
fprintf(fout1,'Group 1A\r\n%-7s%-12s%-5s  %s\r\n','SYMBOL','NAME','Atom#','ELECTRON CONFIGURATION');
fprintf(fout2,'Group 2A\r\n%-7s%-12s%-5s  %s\r\n','SYMBOL','NAME','Atom#','ELECTRON CONFIGURATION');
fprintf(fout7,'Group 7A\r\n%-7s%-12s%-5s  %s\r\n','SYMBOL','NAME','Atom#','ELECTRON CONFIGURATION');
fprintf(fout8,'Group 8A\r\n%-7s%-12s%-5s  %s\r\n','SYMBOL','NAME','Atom#','ELECTRON CONFIGURATION');
while ~feof(fin) % read file until end of file
    x= fgetl(fin);
    i= 1;
    sum = 0;
    while x(i)~=' ' % read symbol
        i= i+1;
    end
    electron(j).symbol= x(1:i-1);
    i2= 8;
    while x(i2)~=' ' % read element name
        i2= i2+1;
    end
    electron(j).name= x(8:i2-1);
    i3= 23;
    electron(j).configuration= x(23:end);
    if electron(j).configuration == "1s2" % Select first two condition because they are different than others
        group8(a).symbol = electron(j).symbol(1:end); %Initilaze the helium in group8
        group8(a).name = electron(j).name(1:end);
        group8(a).configuration = electron(j).configuration(1:end); %Save in the structure
        splitted = strsplit(group8(a).configuration,'.');
        for count=1:length(splitted)
            sum = sum +str2num(splitted{1,count}(3:end)); % Calculate electron numbers
        end
        fprintf(fout8, '%-7s%-12s%5g  %s\r\n',group8(a).symbol ,group8(a).name,sum,group8(a).configuration);
        a = a +1;
        flag1= true;
    elseif electron(j).configuration == "1s1"  % Select first two condition because they are different than others
        group7(b).symbol = electron(j).symbol(1:end);%Initilaze the hydrogen in group7
        group7(b).name = electron(j).name(1:end);
        group7(b).configuration = electron(j).configuration(1:end);%Save in the structure
        splitted = strsplit(group7(b).configuration,'.');
        for count=1:length(splitted)
            sum = sum +str2num(splitted{1,count}(3:end));% Calculate electron numbers
        end
        fprintf(fout7, '%-7s%-12s%5g  %s\r\n',group7(b).symbol ,group7(b).name,sum,group7(b).configuration);
        b = b +1;
    elseif electron(j).configuration(end-1:end) == 'p6' %Find if configuration finish with p6 it is 8A
        group8(a).symbol = electron(j).symbol(1:end);
        group8(a).name = electron(j).name(1:end);
        group8(a).configuration = [group8(end-1).configuration electron(j).configuration(5:end)]; %%Find full configuration use above group8A elements configuration
        splitted = strsplit(group8(a).configuration,'.');
        for count=1:length(splitted)
            sum = sum + str2num(splitted{1,count}(3:end));
        end
        fprintf(fout8, '%-7s%-12s%5g  %s\r\n',group8(a).symbol ,group8(a).name,sum,group8(a).configuration);
        a = a +1;
        flag1= true;
    elseif electron(j).configuration(end-1:end) == 'p5'
        group7(b).symbol = electron(j).symbol(1:end);
        group7(b).name = electron(j).name(1:end);
        group7(b).configuration = [group8(end).configuration electron(j).configuration(5:end)];%%Find full configuration use above group8A elements configuration
        splitted = strsplit(group7(b).configuration,'.');
        for count=1:length(splitted)
            sum = sum + str2num(splitted{1,count}(3:end)); %Calculate totoal electron
        end
        fprintf(fout7, '%-7s%-12s%5g  %s\r\n',group7(b).symbol ,group7(b).name,sum,group7(b).configuration);
        b = b +1;
    elseif flag1 %%IF 8A group found flag1 is true so that after 8A is 1A.
        group1(c).symbol = electron(j).symbol(1:end);
        group1(c).name = electron(j).name(1:end);
        group1(c).configuration = [group8(end).configuration electron(j).configuration(5:end)];
        splitted = strsplit(group1(c).configuration,'.');
        for count=1:length(splitted)
            sum = sum + str2num(splitted{1,count}(3:end));
        end
        fprintf(fout1,'%-7s%-12s%5g  %s\r\n',group1(c).symbol ,group1(c).name,sum,group1(c).configuration);
        c = c +1;
        flag1=false;
        flag2=true; %Preparation for the 2A
    elseif flag2 %%IF 1A group found flag1 is true so that after 1A is 2A.
        group2(d).symbol = electron(j).symbol(1:end);
        group2(d).name = electron(j).name(1:end);
        group2(d).configuration = [group8(end).configuration electron(j).configuration(5:end)];
        splitted = strsplit(group2(d).configuration,'.');
        for count=1:length(splitted)
            sum = sum + str2num(splitted{1,count}(3:end));
        end
        fprintf(fout2,'%-7s%-12s%5g  %s\r\n',group2(d).symbol ,group2(d).name,sum,group2(d).configuration);
        d = d +1;
        flag2=false;
    end
    j = j+1;
end
fclose all;
disp('Done');

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clear

clc

fclose all;

j=1;

a=1;

b=1;

c=1;

d=1;

flag1=false;

flag2=false;

% Open input file

[file,folder]= uigetfile('*.txt','Select input file'); % Get the name of txt file from user

if file==0

return

end

[fin,err]= fopen([folder file],'r'); % Open file for read

if fin==-1

disp(err);

return

end

[fout1,err]= fopen('Group1A.txt','w');% Open files for write

if fout1==-1

disp(err);

fclose all;

return

end

[fout2,err]= fopen('Group2A.txt','w');

if fout2==-1

disp(err);

fclose all;

return

end

[fout7,err]= fopen('Group7A.txt','w');

if fout7==-1

disp(err);

fclose all;

return

end

[fout8,err]= fopen('Group8A.txt','w');

if fout8==-1

disp(err);

fclose all;

return

end

fgetl(fin);

fprintf(fout1,'Group 1A\r\n%-7s%-12s%-5s %s\r\n','SYMBOL','NAME','Atom#','ELECTRON CONFIGURATION');

fprintf(fout2,'Group 2A\r\n%-7s%-12s%-5s %s\r\n','SYMBOL','NAME','Atom#','ELECTRON CONFIGURATION');

fprintf(fout7,'Group 7A\r\n%-7s%-12s%-5s %s\r\n','SYMBOL','NAME','Atom#','ELECTRON CONFIGURATION');

fprintf(fout8,'Group 8A\r\n%-7s%-12s%-5s %s\r\n','SYMBOL','NAME','Atom#','ELECTRON CONFIGURATION');

while ~feof(fin) % read file until end of file

x= fgetl(fin);

i= 1;

sum = 0;

while x(i)~=' ' % read symbol

i= i+1;

end

electron(j).symbol= x(1:i-1);

i2= 8;

while x(i2)~=' ' % read element name

i2= i2+1;

end

electron(j).name= x(8:i2-1);

i3= 23;

electron(j).configuration= x(23:end);

if electron(j).configuration == "1s2" % Select first two condition because they are different than others

group8(a).symbol = electron(j).symbol(1:end); %Initilaze the helium in group8

group8(a).name = electron(j).name(1:end);

group8(a).configuration = electron(j).configuration(1:end); %Save in the structure

splitted = strsplit(group8(a).configuration,'.');

for count=1:length(splitted)

sum = sum +str2num(splitted{1,count}(3:end)); % Calculate electron numbers

end

fprintf(fout8, '%-7s%-12s%5g %s\r\n',group8(a).symbol ,group8(a).name,sum,group8(a).configuration);

a = a +1;

flag1= true;

elseif electron(j).configuration == "1s1" % Select first two condition because they are different than others

group7(b).symbol = electron(j).symbol(1:end);%Initilaze the hydrogen in group7

group7(b).name = electron(j).name(1:end);

group7(b).configuration = electron(j).configuration(1:end);%Save in the structure

splitted = strsplit(group7(b).configuration,'.');

for count=1:length(splitted)

sum = sum +str2num(splitted{1,count}(3:end));% Calculate electron numbers

end

fprintf(fout7, '%-7s%-12s%5g %s\r\n',group7(b).symbol ,group7(b).name,sum,group7(b).configuration);

b = b +1;

elseif electron(j).configuration(end-1:end) == 'p6' %Find if configuration finish with p6 it is 8A

group8(a).symbol = electron(j).symbol(1:end);

group8(a).name = electron(j).name(1:end);

group8(a).configuration = [group8(end-1).configuration electron(j).configuration(5:end)]; %%Find full configuration use above group8A elements configuration

splitted = strsplit(group8(a).configuration,'.');

for count=1:length(splitted)

sum = sum + str2num(splitted{1,count}(3:end));

end

fprintf(fout8, '%-7s%-12s%5g %s\r\n',group8(a).symbol ,group8(a).name,sum,group8(a).configuration);

a = a +1;

flag1= true;

elseif electron(j).configuration(end-1:end) == 'p5'

group7(b).symbol = electron(j).symbol(1:end);

group7(b).name = electron(j).name(1:end);

group7(b).configuration = [group8(end).configuration electron(j).configuration(5:end)];%%Find full configuration use above group8A elements configuration

splitted = strsplit(group7(b).configuration,'.');

for count=1:length(splitted)

sum = sum + str2num(splitted{1,count}(3:end)); %Calculate totoal electron

end

fprintf(fout7, '%-7s%-12s%5g %s\r\n',group7(b).symbol ,group7(b).name,sum,group7(b).configuration);

b = b +1;

elseif flag1 %%IF 8A group found flag1 is true so that after 8A is 1A.

group1(c).symbol = electron(j).symbol(1:end);

group1(c).name = electron(j).name(1:end);

group1(c).configuration = [group8(end).configuration electron(j).configuration(5:end)];

splitted = strsplit(group1(c).configuration,'.');

for count=1:length(splitted)

sum = sum + str2num(splitted{1,count}(3:end));

end

fprintf(fout1,'%-7s%-12s%5g %s\r\n',group1(c).symbol ,group1(c).name,sum,group1(c).configuration);

c = c +1;

flag1=false;

flag2=true; %Preparation for the 2A

elseif flag2 %%IF 1A group found flag1 is true so that after 1A is 2A.

group2(d).symbol = electron(j).symbol(1:end);

group2(d).name = electron(j).name(1:end);

group2(d).configuration = [group8(end).configuration electron(j).configuration(5:end)];

splitted = strsplit(group2(d).configuration,'.');

for count=1:length(splitted)

sum = sum + str2num(splitted{1,count}(3:end));

end

fprintf(fout2,'%-7s%-12s%5g %s\r\n',group2(d).symbol ,group2(d).name,sum,group2(d).configuration);

d = d +1;

flag2=false;

end

j = j+1;

end

fclose all;

disp('Done');

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Files: Periodic Table – Electron Configurations | Matlab Examples

Matlab Tutorials | Examples

Practice 11:

Files: Periodic Table – Electron Configurations

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