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Merge pull request #1081 from MITx/feature/alex/crystallography-update-mitx

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Feature/alex/crystallography update mitx
This commit is contained in:
Victor Shnayder
2012-11-28 07:04:23 -08:00
parent 41b73e3b3a 74b30d8c20
commit b63a787a26
8 changed files with 512 additions and 43 deletions
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4
common/lib/capa/capa/capa_problem.py
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@@ -33,6 +33,7 @@ from xml.sax.saxutils import unescape
import chem
import chem.chemcalc
import chem.chemtools
import chem.miller
import calc
from correctmap import CorrectMap
@@ -67,7 +68,8 @@ global_context = {'random': random,
'calc': calc,
'eia': eia,
'chemcalc': chem.chemcalc,
'chemtools': chem.chemtools}
'chemtools': chem.chemtools,
'miller': chem.miller}
# These should be removed from HTML output, including all subelements
html_problem_semantics = ["codeparam", "responseparam", "answer", "script", "hintgroup"]

267
common/lib/capa/capa/chem/miller.py Normal file
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@@ -0,0 +1,267 @@
""" Calculation of Miller indices """
import numpy as np
import math
import fractions as fr
import decimal
import json
def lcm(a, b):
"""
Returns least common multiple of a, b
Args:
a, b: floats
Returns:
float
"""
return a * b / fr.gcd(a, b)
def segment_to_fraction(distance):
"""
Converts lengths of which the plane cuts the axes to fraction.
Tries convert distance to closest nicest fraction with denominator less or
equal than 10. It is
purely for simplicity and clearance of learning purposes. Jenny: 'In typical
courses students usually do not encounter indices any higher than 6'.
If distance is not a number (numpy nan), it means that plane is parallel to
axis or contains it. Inverted fraction to nan (nan is 1/0) = 0 / 1 is
returned
Generally (special cases):
a) if distance is smaller than some constant, i.g. 0.01011,
than fraction's denominator usually much greater than 10.
b) Also, if student will set point on 0.66 -> 1/3, so it is 333 plane,
But if he will slightly move the mouse and click on 0.65 -> it will be
(16,15,16) plane. That's why we are doing adjustments for points coordinates,
to the closest tick, tick + tick / 2 value. And now UI sends to server only
values multiple to 0.05 (half of tick). Same rounding is implemented for
unittests.
But if one will want to calculate miller indices with exact coordinates and
with nice fractions (which produce small Miller indices), he may want shift
to new origin if segments are like S = (0.015, > 0.05, >0.05) - close to zero
in one coordinate. He may update S to (0, >0.05, >0.05) and shift origin.
In this way he can recieve nice small fractions. Also there is can be
degenerated case when S = (0.015, 0.012, >0.05) - if update S to (0, 0, >0.05) -
it is a line. This case should be considered separately. Small nice Miller
numbers and possibility to create very small segments can not be implemented
at same time).
Args:
distance: float distance that plane cuts on axis, it must not be 0.
Distance is multiple of 0.05.
Returns:
Inverted fraction.
0 / 1 if distance is nan
"""
if np.isnan(distance):
return fr.Fraction(0, 1)
else:
fract = fr.Fraction(distance).limit_denominator(10)
return fr.Fraction(fract.denominator, fract.numerator)
def sub_miller(segments):
'''
Calculates Miller indices from segments.
Algorithm:
1. Obtain inverted fraction from segments
2. Find common denominator of inverted fractions
3. Lead fractions to common denominator and throws denominator away.
4. Return obtained values.
Args:
List of 3 floats, meaning distances that plane cuts on x, y, z axes.
Any float not equals zero, it means that plane does not intersect origin,
i. e. shift of origin has already been done.
Returns:
String that represents Miller indices, e.g: (-6,3,-6) or (2,2,2)
'''
fracts = [segment_to_fraction(segment) for segment in segments]
common_denominator = reduce(lcm, [fract.denominator for fract in fracts])
miller = ([fract.numerator * math.fabs(common_denominator) /
fract.denominator for fract in fracts])
return'(' + ','.join(map(str, map(decimal.Decimal, miller))) + ')'
def miller(points):
"""
Calculates Miller indices from points.
Algorithm:
1. Calculate normal vector to a plane that goes trough all points.
2. Set origin.
3. Create Cartesian coordinate system (Ccs).
4. Find the lengths of segments of which the plane cuts the axes. Equation
of a line for axes: Origin + (Coordinate_vector - Origin) * parameter.
5. If plane goes trough Origin:
a) Find new random origin: find unit cube vertex, not crossed by a plane.
b) Repeat 2-4.
c) Fix signs of segments after Origin shift. This means to consider
original directions of axes. I.g.: Origin was 0,0,0 and became
new_origin. If new_origin has same Y coordinate as Origin, then segment
does not change its sign. But if new_origin has another Y coordinate than
origin (was 0, became 1), than segment has to change its sign (it now
lies on negative side of Y axis). New Origin 0 value of X or Y or Z
coordinate means that segment does not change sign, 1 value -> does
change. So new sign is (1 - 2 * new_origin): 0 -> 1, 1 -> -1
6. Run function that calculates miller indices from segments.
Args:
List of points. Each point is list of float coordinates. Order of
coordinates in point's list: x, y, z. Points are different!
Returns:
String that represents Miller indices, e.g: (-6,3,-6) or (2,2,2)
"""
N = np.cross(points[1] - points[0], points[2] - points[0])
O = np.array([0, 0, 0])
P = points[0] # point of plane
Ccs = map(np.array, [[1.0, 0, 0], [0, 1.0, 0], [0, 0, 1.0]])
segments = ([np.dot(P - O, N) / np.dot(ort, N) if np.dot(ort, N) != 0 else
np.nan for ort in Ccs])
if any(x == 0 for x in segments): # Plane goes through origin.
vertices = [ # top:
np.array([1.0, 1.0, 1.0]),
np.array([0.0, 0.0, 1.0]),
np.array([1.0, 0.0, 1.0]),
np.array([0.0, 1.0, 1.0]),
# bottom, except 0,0,0:
np.array([1.0, 0.0, 0.0]),
np.array([0.0, 1.0, 0.0]),
np.array([1.0, 1.0, 1.0]),
]
for vertex in vertices:
if np.dot(vertex - O, N) != 0: # vertex not in plane
new_origin = vertex
break
# obtain new axes with center in new origin
X = np.array([1 - new_origin[0], new_origin[1], new_origin[2]])
Y = np.array([new_origin[0], 1 - new_origin[1], new_origin[2]])
Z = np.array([new_origin[0], new_origin[1], 1 - new_origin[2]])
new_Ccs = [X - new_origin, Y - new_origin, Z - new_origin]
segments = ([np.dot(P - new_origin, N) / np.dot(ort, N) if
np.dot(ort, N) != 0 else np.nan for ort in new_Ccs])
# fix signs of indices: 0 -> 1, 1 -> -1 (
segments = (1 - 2 * new_origin) * segments
return sub_miller(segments)
def grade(user_input, correct_answer):
'''
Grade crystallography problem.
Returns true if lattices are the same and Miller indices are same or minus
same. E.g. (2,2,2) = (2, 2, 2) or (-2, -2, -2). Because sign depends only
on student's selection of origin.
Args:
user_input, correct_answer: json. Format:
user_input: {"lattice":"sc","points":[["0.77","0.00","1.00"],
["0.78","1.00","0.00"],["0.00","1.00","0.72"]]}
correct_answer: {'miller': '(00-1)', 'lattice': 'bcc'}
"lattice" is one of: "", "sc", "bcc", "fcc"
Returns:
True or false.
'''
def negative(m):
"""
Change sign of Miller indices.
Args:
m: string with meaning of Miller indices. E.g.:
(-6,3,-6) -> (6, -3, 6)
Returns:
String with changed signs.
"""
output = ''
i = 1
while i in range(1, len(m) - 1):
if m[i] in (',', ' '):
output += m[i]
elif m[i] not in ('-', '0'):
output += '-' + m[i]
elif m[i] == '0':
output += m[i]
else:
i += 1
output += m[i]
i += 1
return '(' + output + ')'
def round0_25(point):
"""
Rounds point coordinates to closest 0.5 value.
Args:
point: list of float coordinates. Order of coordinates: x, y, z.
Returns:
list of coordinates rounded to closes 0.5 value
"""
rounded_points = []
for coord in point:
base = math.floor(coord * 10)
fractional_part = (coord * 10 - base)
aliquot0_25 = math.floor(fractional_part / 0.25)
if aliquot0_25 == 0.0:
rounded_points.append(base / 10)
if aliquot0_25 in (1.0, 2.0):
rounded_points.append(base / 10 + 0.05)
if aliquot0_25 == 3.0:
rounded_points.append(base / 10 + 0.1)
return rounded_points
user_answer = json.loads(user_input)
if user_answer['lattice'] != correct_answer['lattice']:
return False
points = [map(float, p) for p in user_answer['points']]
if len(points) < 3:
return False
# round point to closes 0.05 value
points = [round0_25(point) for point in points]
points = [np.array(point) for point in points]
# print miller(points), (correct_answer['miller'].replace(' ', ''),
# negative(correct_answer['miller']).replace(' ', ''))
if miller(points) in (correct_answer['miller'].replace(' ', ''), negative(correct_answer['miller']).replace(' ', '')):
return True
return False

147
common/lib/capa/capa/chem/tests.py
View File

@@ -1,13 +1,15 @@
import codecs
from fractions import Fraction
from pyparsing import ParseException
import unittest
from chemcalc import (compare_chemical_expression, divide_chemical_expression,
render_to_html, chemical_equations_equal)
import miller
local_debug = None
def log(s, output_type=None):
if local_debug:
print s
@@ -37,7 +39,6 @@ class Test_Compare_Equations(unittest.TestCase):
self.assertFalse(chemical_equations_equal('2H2 + O2 -> H2O2',
'2O2 + 2H2 -> 2H2O2'))
def test_different_arrows(self):
self.assertTrue(chemical_equations_equal('H2 + O2 -> H2O2',
'2O2 + 2H2 -> 2H2O2'))
@@ -56,7 +57,6 @@ class Test_Compare_Equations(unittest.TestCase):
self.assertTrue(chemical_equations_equal('H2 + O2 -> H2O2',
'O2 + H2 -> H2O2', exact=True))
def test_syntax_errors(self):
self.assertFalse(chemical_equations_equal('H2 + O2 a-> H2O2',
'2O2 + 2H2 -> 2H2O2'))
@@ -311,7 +311,6 @@ class Test_Render_Equations(unittest.TestCase):
log(out + ' ------- ' + correct, 'html')
self.assertEqual(out, correct)
def test_render_eq3(self):
s = "H^+ + OH^- <= H2O" # unsupported arrow
out = render_to_html(s)
@@ -320,10 +319,148 @@ class Test_Render_Equations(unittest.TestCase):
self.assertEqual(out, correct)
class Test_Crystallography_Miller(unittest.TestCase):
''' Tests for crystallography grade function.'''
def test_empty_points(self):
user_input = '{"lattice": "bcc", "points": []}'
self.assertFalse(miller.grade(user_input, {'miller': '(2,2,2)', 'lattice': 'bcc'}))
def test_only_one_point(self):
user_input = '{"lattice": "bcc", "points": [["0.50", "0.00", "0.00"]]}'
self.assertFalse(miller.grade(user_input, {'miller': '(2,2,2)', 'lattice': 'bcc'}))
def test_only_two_points(self):
user_input = '{"lattice": "bcc", "points": [["0.50", "0.00", "0.00"], ["0.00", "0.50", "0.00"]]}'
self.assertFalse(miller.grade(user_input, {'miller': '(2,2,2)', 'lattice': 'bcc'}))
def test_1(self):
user_input = '{"lattice": "bcc", "points": [["0.50", "0.00", "0.00"], ["0.00", "0.50", "0.00"], ["0.00", "0.00", "0.50"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(2,2,2)', 'lattice': 'bcc'}))
def test_2(self):
user_input = '{"lattice": "bcc", "points": [["1.00", "0.00", "0.00"], ["0.00", "1.00", "0.00"], ["0.00", "0.00", "1.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(1,1,1)', 'lattice': 'bcc'}))
def test_3(self):
user_input = '{"lattice": "bcc", "points": [["1.00", "0.50", "1.00"], ["1.00", "1.00", "0.50"], ["0.50", "1.00", "1.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(2,2,2)', 'lattice': 'bcc'}))
def test_4(self):
user_input = '{"lattice": "bcc", "points": [["0.33", "1.00", "0.00"], ["0.00", "0.664", "0.00"], ["0.00", "1.00", "0.33"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(-3, 3, -3)', 'lattice': 'bcc'}))
def test_5(self):
""" return true only in case points coordinates are exact.
But if they transform to closest 0.05 value it is not true"""
user_input = '{"lattice": "bcc", "points": [["0.33", "1.00", "0.00"], ["0.00", "0.33", "0.00"], ["0.00", "1.00", "0.33"]]}'
self.assertFalse(miller.grade(user_input, {'miller': '(-6,3,-6)', 'lattice': 'bcc'}))
def test_6(self):
user_input = '{"lattice": "bcc", "points": [["0.00", "0.25", "0.00"], ["0.25", "0.00", "0.00"], ["0.00", "0.00", "0.25"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(4,4,4)', 'lattice': 'bcc'}))
def test_7(self): # goes throug origin
user_input = '{"lattice": "bcc", "points": [["0.00", "1.00", "0.00"], ["1.00", "0.00", "0.00"], ["0.50", "1.00", "0.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(0,0,-1)', 'lattice': 'bcc'}))
def test_8(self):
user_input = '{"lattice": "bcc", "points": [["0.00", "1.00", "0.50"], ["1.00", "0.00", "0.50"], ["0.50", "1.00", "0.50"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(0,0,2)', 'lattice': 'bcc'}))
def test_9(self):
user_input = '{"lattice": "bcc", "points": [["1.00", "0.00", "1.00"], ["0.00", "1.00", "1.00"], ["1.00", "0.00", "0.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(1,1,0)', 'lattice': 'bcc'}))
def test_10(self):
user_input = '{"lattice": "bcc", "points": [["1.00", "0.00", "1.00"], ["0.00", "0.00", "0.00"], ["0.00", "1.00", "1.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(1,1,-1)', 'lattice': 'bcc'}))
def test_11(self):
user_input = '{"lattice": "bcc", "points": [["1.00", "0.00", "0.50"], ["1.00", "1.00", "0.00"], ["0.00", "1.00", "0.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(0,1,2)', 'lattice': 'bcc'}))
def test_12(self):
user_input = '{"lattice": "bcc", "points": [["1.00", "0.00", "0.50"], ["0.00", "0.00", "0.50"], ["1.00", "1.00", "1.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(0,1,-2)', 'lattice': 'bcc'}))
def test_13(self):
user_input = '{"lattice": "bcc", "points": [["0.50", "0.00", "0.00"], ["0.50", "1.00", "0.00"], ["0.00", "0.00", "1.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(2,0,1)', 'lattice': 'bcc'}))
def test_14(self):
user_input = '{"lattice": "bcc", "points": [["0.00", "0.00", "0.00"], ["0.00", "0.00", "1.00"], ["0.50", "1.00", "0.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(2,-1,0)', 'lattice': 'bcc'}))
def test_15(self):
user_input = '{"lattice": "bcc", "points": [["0.00", "0.00", "0.00"], ["1.00", "1.00", "0.00"], ["0.00", "1.00", "1.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(1,-1,1)', 'lattice': 'bcc'}))
def test_16(self):
user_input = '{"lattice": "bcc", "points": [["1.00", "0.00", "0.00"], ["0.00", "1.00", "0.00"], ["1.00", "1.00", "1.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(1,1,-1)', 'lattice': 'bcc'}))
def test_17(self):
user_input = '{"lattice": "bcc", "points": [["0.00", "0.00", "0.00"], ["1.00", "0.00", "1.00"], ["1.00", "1.00", "0.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(-1,1,1)', 'lattice': 'bcc'}))
def test_18(self):
user_input = '{"lattice": "bcc", "points": [["0.00", "0.00", "0.00"], ["1.00", "1.00", "0.00"], ["0.00", "1.00", "1.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(1,-1,1)', 'lattice': 'bcc'}))
def test_19(self):
user_input = '{"lattice": "bcc", "points": [["0.00", "0.00", "0.00"], ["1.00", "1.00", "0.00"], ["0.00", "0.00", "1.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(-1,1,0)', 'lattice': 'bcc'}))
def test_20(self):
user_input = '{"lattice": "bcc", "points": [["1.00", "0.00", "0.00"], ["1.00", "1.00", "0.00"], ["0.00", "0.00", "1.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(1,0,1)', 'lattice': 'bcc'}))
def test_21(self):
user_input = '{"lattice": "bcc", "points": [["0.00", "0.00", "0.00"], ["0.00", "1.00", "0.00"], ["1.00", "0.00", "1.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(-1,0,1)', 'lattice': 'bcc'}))
def test_22(self):
user_input = '{"lattice": "bcc", "points": [["0.00", "1.00", "0.00"], ["1.00", "1.00", "0.00"], ["0.00", "0.00", "1.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(0,1,1)', 'lattice': 'bcc'}))
def test_23(self):
user_input = '{"lattice": "bcc", "points": [["0.00", "0.00", "0.00"], ["1.00", "0.00", "0.00"], ["1.00", "1.00", "1.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(0,-1,1)', 'lattice': 'bcc'}))
def test_24(self):
user_input = '{"lattice": "bcc", "points": [["0.66", "0.00", "0.00"], ["0.00", "0.66", "0.00"], ["0.00", "0.00", "0.66"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(3,3,3)', 'lattice': 'bcc'}))
def test_25(self):
user_input = u'{"lattice":"","points":[["0.00","0.00","0.01"],["1.00","1.00","0.01"],["0.00","1.00","1.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(1,-1,1)', 'lattice': ''}))
def test_26(self):
user_input = u'{"lattice":"","points":[["0.00","0.01","0.00"],["1.00","0.00","0.00"],["0.00","0.00","1.00"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(0,-1,0)', 'lattice': ''}))
def test_27(self):
""" rounding to 0.35"""
user_input = u'{"lattice":"","points":[["0.33","0.00","0.00"],["0.00","0.33","0.00"],["0.00","0.00","0.33"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(3,3,3)', 'lattice': ''}))
def test_28(self):
""" rounding to 0.30"""
user_input = u'{"lattice":"","points":[["0.30","0.00","0.00"],["0.00","0.30","0.00"],["0.00","0.00","0.30"]]}'
self.assertTrue(miller.grade(user_input, {'miller': '(10,10,10)', 'lattice': ''}))
def test_wrong_lattice(self):
user_input = '{"lattice": "bcc", "points": [["0.00", "0.00", "0.00"], ["1.00", "0.00", "0.00"], ["1.00", "1.00", "1.00"]]}'
self.assertFalse(miller.grade(user_input, {'miller': '(3,3,3)', 'lattice': 'fcc'}))
def suite():
testcases = [Test_Compare_Expressions, Test_Divide_Expressions, Test_Render_Equations]
testcases = [Test_Compare_Expressions,
Test_Divide_Expressions,
Test_Render_Equations,
Test_Crystallography_Miller]
suites = []
for testcase in testcases:
suites.append(unittest.TestLoader().loadTestsFromTestCase(testcase))

7
common/lib/capa/capa/inputtypes.py
View File

@@ -671,18 +671,15 @@ class Crystallography(InputTypeBase):
"""
Note: height, width are required.
"""
return [Attribute('size', None),
Attribute('height'),
return [Attribute('height'),
Attribute('width'),
# can probably be removed (textline should prob be always-hidden)
Attribute('hidden', ''),
]
registry.register(Crystallography)
# -------------------------------------------------------------------------
class VseprInput(InputTypeBase):
"""
Input for molecular geometry--show possible structures, let student

49
common/lib/capa/capa/templates/crystallography.html
View File

@@ -1,34 +1,28 @@
<section id="inputtype_${id}" class="capa_inputtype" >
<div id="holder" style="width:${width};height:${height}"></div>
<div class="crystalography_problem" style="width:${width};height:${height}"></div>
<div class="input_lattice">
Lattice: <select></select>
</div>
<div class="script_placeholder" data-src="/static/js/raphael.js"></div>
<div class="script_placeholder" data-src="/static/js/sylvester.js"></div>
<div class="script_placeholder" data-src="/static/js/underscore-min.js"></div>
<div class="script_placeholder" data-src="/static/js/crystallography.js"></div>
% if status == 'unsubmitted':
<div class="unanswered" id="status_${id}">
<div class="unanswered" id="status_${id}">
% elif status == 'correct':
<div class="correct" id="status_${id}">
<div class="correct" id="status_${id}">
% elif status == 'incorrect':
<div class="incorrect" id="status_${id}">
<div class="incorrect" id="status_${id}">
% elif status == 'incomplete':
<div class="incorrect" id="status_${id}">
% endif
% if hidden:
<div style="display:none;" name="${hidden}" inputid="input_${id}" />
<div class="incorrect" id="status_${id}">
% endif
<input type="text" name="input_${id}" id="input_${id}" value="${value|h}"
% if size:
size="${size}"
% endif
% if hidden:
style="display:none;"
% endif
/>
<p class="status">
<input type="text" name="input_${id}" id="input_${id}" value="${value|h}" style="display:none;"/>
<p class="status">
% if status == 'unsubmitted':
unanswered
% elif status == 'correct':
@@ -38,14 +32,15 @@
% elif status == 'incomplete':
incomplete
% endif
</p>
</p>
<p id="answer_${id}" class="answer"></p>
<p id="answer_${id}" class="answer"></p>
% if msg:
<span class="message">${msg|n}</span>
% endif
% if status in ['unsubmitted', 'correct', 'incorrect', 'incomplete']:
</div>
% endif
% if msg:
<span class="message">${msg|n}</span>
% endif
% if status in ['unsubmitted', 'correct', 'incorrect', 'incomplete']:
</div>
% endif
</section>

6
common/lib/capa/capa/tests/test_inputtypes.py
View File

@@ -407,13 +407,11 @@ class CrystallographyTest(unittest.TestCase):
def test_rendering(self):
height = '12'
width = '33'
size = '10'
xml_str = """<crystallography id="prob_1_2"
height="{h}"
width="{w}"
size="{s}"
/>""".format(h=height, w=width, s=size)
/>""".format(h=height, w=width)
element = etree.fromstring(xml_str)
@@ -428,9 +426,7 @@ class CrystallographyTest(unittest.TestCase):
expected = {'id': 'prob_1_2',
'value': value,
'status': 'unsubmitted',
'size': size,
'msg': '',
'hidden': '',
'width': width,
'height': height,
}

6
docs/source/capa.rst
View File

@@ -1,9 +1,15 @@
*******************************************
Capa module
*******************************************
Contents:
.. module:: capa
.. toctree::
:maxdepth: 2
chem.rst
Calc
====

69
docs/source/chem.rst Normal file
View File

@@ -0,0 +1,69 @@
*******************************************
Chem module
*******************************************
.. module:: chem
Miller
======
.. automodule:: capa.chem.miller
:members:
:show-inheritance:
UI part and inputtypes
----------------------
Miller module is used in the system in crystallography problems.
Crystallography is a class in :mod:`capa` inputtypes module.
It uses *crystallography.html* for rendering and **crystallography.js**
for UI part.
Documentation from **crystallography.js**::
For a crystallographic problem of the type
Given a plane definition via miller indexes, specify it by plotting points on the edges
of a 3D cube. Additionally, select the correct Bravais cubic lattice type depending on the
physical crystal mentioned in the problem.
we create a graph which contains a cube, and a 3D Cartesian coordinate system. The interface
will allow to plot 3 points anywhere along the edges of the cube, and select which type of
Bravais lattice should be displayed along with the basic cube outline.
When 3 points are successfully plotted, an intersection of the resulting plane (defined by
the 3 plotted points), and the cube, will be automatically displayed for clarity.
After lotting the three points, it is possible to continue plotting additional points. By
doing so, the point that was plotted first (from the three that already exist), will be
removed, and the new point will be added. The intersection of the resulting new plane and
the cube will be redrawn.
The UI has been designed in such a way, that the user is able to determine which point will
be removed next (if adding a new point). This is achieved via filling the to-be-removed point
with a different color.
Chemcalc
========
.. automodule:: capa.chem.chemcalc
:members:
:show-inheritance:
Chemtools
=========
.. automodule:: capa.chem.chemtools
:members:
:show-inheritance:
Tests
=====
.. automodule:: capa.chem.tests
:members:
:show-inheritance: