Default constants for plotting the energy diagram
Source code in src/chemdiagrams/constants.py
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 | class Constants:
"""Default constants for plotting the energy diagram"""
def __init__(self):
#################################
# High level defaults
#################################
self.DEFAULT_STYLE = "open"
self.DEFAULT_FIGSIZE = None
self.STD_FONTSIZE = 8
self.DEFAULT_WIDTH_LIMIT = None
#################################
# Bar Manager
#################################
# Default distance of text next to Bar in x units
self.DISTANCE_TEXT_DIFFBAR = 0.02
self.LW_WHISKER = 0.7
self.ZORDER_WHISKER = 0.8
#################################
# Figure Manager
#################################
self.DEFAULT_DPI = 150
#################################
# Image Manager
#################################
# Standard width of an image in x units
self.IMAGE_WIDTH = 0.6
# Default distances of images (inches at sdt fontsize)
self.DISTANCE_IMAGE_LINE = 0.09
self.DISTANCE_IMAGE_NUMBER = 0.15 # 0.135 pre v0.3.0
self.ZORDER_IMAGE = 0.6
self.IMAGE_INTERPOLATION_METHOD = "bilinear"
# Frame parameters
self.LW_IMAGE_FRAME = 0.5
self.ZORDER_IMAGE_FRAME = 0.5
#################################
# Layout Manager
#################################
# Default margins (x absolute, y relative)
self.DEFAULT_X_MARGINS = (-0.5, 0.5)
self.DEFAULT_Y_MARGINS = (-0.1, 0.15)
# Default height of Diagram in inches
self.FIG_HEIGHT = 3
# Default width in inches per x-tick
self.X_SCALE = 0.8
#################################
# Number Manager
#################################
# Default distance numbers above plateau (inches at sdt fontsize)
self.DISTANCE_NUMBER_LINE = 0.10 # 0.09 pre v0.3.0
# Default distance between numbers (inches at sdt fontsize)
self.DISTANCE_NUMBER_NUMBER = 0.15 # 0.135 pre v0.3.0
self.ZORDER_NUMBERS = 2
self.MINUS_SIGN = "\u2212"
# To avoid numerical precision issues where the label is exactly at the boundary
# This factor is used to slightly reduce the calculated diff_to_label when checking
# for collisions, creating a small buffer zone that unnecessary collision warnings
self.NUMERICAL_PRECISION_FACTOR = 0.999
#################################
# Path Manager
#################################
# Plateu parameters
self.ZORDER_PLATEAU = 2
self.LW_PLATEAU = 1.8
self.WIDTH_PLATEAU = 0.5
# Connector parameters
self.ZORDER_CONNECTOR = 1
self.LW_CONNECTOR = 1.0
# Broken line parameters
self.BROKEN_LINE_GAP = 0.2
self.ZORDER_BROKEN_LINE_STOPPER = 1
self.LW_BROKEN_LINE_STOPPER = 0.8
self.SIZE_BROKEN_LINE_STOPPER = 3
# Merged Plateu parameters
self.MERGED_PLATEAU_GAP = 0.1
self.MERGED_PLATEAU_COVER_WIDTH = 0.05
self.ZORDER_MERGED_PLATEAU_COVER = 2.1
self.LW_MERGED_PLATEAU_STOPPER = 1.5
self.SIZE_MERGED_PLATEAU_STOPPER = 1.5
self.ZORDER_MERGED_PLATEAU_STOPPER = 2.5
#################################
# Style Manager
#################################
# Axis arrow parameters
self.ZORDER_AXIS_ARROWS = 3
self.SIZE_AXIS_ARROWS = 12
# x axis (stlye="open") parameters
self.ZORDER_X_AXIS = 0.5
self.LW_X_AXIS = 0.8
self.X_AXIS_OFFSET_OPENSTYLE = -0.03
# Label (in_plot=True) parameters
self.DISTANCE_TO_LABEL = 0.04
self.ZORDER_X_LABEL = 1
# Axes break cover parameters in inches or degree
self.AXIS_BREAK_GAP = 0.1
self.AXIS_BREAK_COVER_WIDTH = 0.03
self.ZORDER_AXIS_BREAK_COVER = 4.5
# Axes break stopper parameters
self.LW_AXIS_BREAK_STOPPER = 0.8
self.SIZE_AXIS_BREAK_STOPPER = 2
self.ZORDER_AXIS_BREAK_STOPPER = 5
|