-
Notifications
You must be signed in to change notification settings - Fork 3
/
Copy pathcallbackXRDMatchPoint.m
150 lines (123 loc) · 4.99 KB
/
callbackXRDMatchPoint.m
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
function callbackXRDMatchPoint(obj, evt, ternHandles, specHandles, ECHandles)
%CALLBACKXRDMATCHPOINT waits for the user to select a point on the ternary
%diagram, compares that point's XRD pattern to patterns in the XRD database
%folder, and for each XRD database pattern it shares at least one peak
%with, plots the XRD database pattern with the point's XRD pattern
set(ternHandles.buttonSelectPoint, 'Callback', []);
figTern = ternHandles.fTernDiagram;
ternInfo = figTern.UserData;
fSpecPlot = specHandles.fSpecPlot;
specInfo = fSpecPlot.UserData;
xTernPoints = ternInfo.xCoords;
yTernPoints = ternInfo.yCoords;
compA = ternInfo.valsCompA;
compB = ternInfo.valsCompB;
compC = ternInfo.valsCompC;
XRDData = specInfo.XRDData;
XRDDatabase = specInfo.XRDDatabase;
collcodes = specInfo.collcodes;
confidenceFactor = ternHandles.editConfFactor.UserData;
tol = ternHandles.editTol.UserData;
figure(ternHandles.fTernDiagram);
[xSelect, ySelect] = ginput(1);
indexPoint = findNearestPoint(xSelect, ySelect, ...
ternInfo.numPoints, xTernPoints, yTernPoints);
hold on;
% outline selected point
if ishandle(ternInfo.pointOutline) == 1
delete(ternInfo.pointOutline);
end
ternInfo.pointOutline = scatter(xTernPoints(indexPoint), ...
yTernPoints(indexPoint), 'k');
% plot XRD data for that point
if ishandle(ternInfo.fXRDPlot) == 1
figure(ternInfo.fXRDPlot);
clf;
else
ternInfo.fXRDPlot = figure;
set(gcf, 'color', 'w');
set(gcf, 'Name', 'XRD Plot for Selected Point');
end
axes('Units', 'Normalized', 'Position', [0.1 0.1 0.8 0.8]);
plot(XRDData(:, indexPoint * 2 - 1), XRDData(:, indexPoint * 2));
xlabel('Angle');
ylabel('Intensity');
displayString = sprintf('A: %f\nB: %f\nC: %f', ...
compA(indexPoint), compB(indexPoint), compC(indexPoint));
figure(ternInfo.fXRDPlot);
hold on;
legend(displayString, 'location', 'EastOutside');
[~, matchData] = findXRDMatchesPoint(indexPoint, XRDData, specInfo.XRDDatabase, confidenceFactor, tol);
if matchData(1, 1) ~= 0
matchData = sortrows(matchData);
databaseIndex = 0;
set(0, 'DefaultFigureWindowStyle', 'docked');
for indexData = 1:length(matchData(:, 1))
if matchData(indexData, 1) ~= databaseIndex
databaseIndex = matchData(indexData, 1);
figure;
set(gcf, 'color', 'w');
plotXRDDatabaseFile(XRDDatabase, databaseIndex);
hold on;
XRDDataPlot = ...
plot(XRDData(:, indexPoint * 2 - 1), ...
XRDData(:, indexPoint * 2), 'g');
collcodeString = ...
sprintf('collcode: (%d, %d), composition(%f, %f, %f)', ...
databaseIndex, collcodes(databaseIndex), ...
compA(indexPoint), compB(indexPoint), compC(indexPoint));
legend(collcodeString, 'location', 'SouthOutside');
xlabel('Angle');
ylabel('Intensity');
end
hold on;
xOrigVal = matchData(indexData, 2);
xDBVal = matchData(indexData, 4);
plot([xOrigVal xOrigVal], [0 250], 'r');
plot([xDBVal xDBVal], [0 250], 'm');
uistack(XRDDataPlot, 'top');
end
set(0, 'DefaultFigureWindowStyle', 'normal');
end
figTern.UserData = ternInfo;
set(ternHandles.buttonSelectPoint, ...
'Callback', {@callbackXRDMatchPoint, ...
ternHandles, specHandles, ECHandles});
function plotXRDDatabaseFile(database, index)
dbAngle = database(:, index * 2 - 1);
dbIntensity = database(:, index * 2);
hold on;
ids = find(isnan(dbAngle));
dbAngle = removerows(dbAngle, ids);
dbIntensity = removerows(dbIntensity, ids);
ids = find(dbAngle == 0);
dbAngle = removerows(dbAngle, ids);
dbIntensity = removerows(dbIntensity, ids);
[dbAngle, dbIntensity] = aggregate(dbAngle, dbIntensity);
bar(dbAngle, dbIntensity);
%{
for i = 1:length(dbAngle)
%dbAngle(i)
hold on;
plot([dbAngle(i) dbAngle(i)], [0 dbIntensity(i)], 'b');
end
%}
end
function [angle, intensity] = aggregate(dbAngle, dbIntensity)
prev = -1;
prevIndex = 0;
for i = 1:length(dbAngle)
if dbAngle(i) == prev
dbIntensity(prevIndex) = ...
dbIntensity(prevIndex) + dbIntensity(i);
dbAngle(i) = -1;
else
prev = dbAngle(i);
prevIndex = i;
end
end
ids = find(dbAngle == -1);
angle = removerows(dbAngle, ids);
intensity = removerows(dbIntensity, ids);
end
end