pyphyschemtools 0.1.0__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (80) hide show
  1. pyphyschemtools/Chem3D.py +831 -0
  2. pyphyschemtools/ML.py +42 -0
  3. pyphyschemtools/PeriodicTable.py +289 -0
  4. pyphyschemtools/__init__.py +43 -0
  5. pyphyschemtools/aithermo.py +350 -0
  6. pyphyschemtools/cheminformatics.py +230 -0
  7. pyphyschemtools/core.py +119 -0
  8. pyphyschemtools/icons-logos-banner/Logo_pyPhysChem_border.svg +1109 -0
  9. pyphyschemtools/icons-logos-banner/__init__.py +0 -0
  10. pyphyschemtools/icons-logos-banner/logo.png +0 -0
  11. pyphyschemtools/icons-logos-banner/tools4pyPC_banner.png +0 -0
  12. pyphyschemtools/icons-logos-banner/tools4pyPC_banner.svg +193 -0
  13. pyphyschemtools/kinetics.py +193 -0
  14. pyphyschemtools/resources/css/BrainHalfHalf-120x139.base64 +1 -0
  15. pyphyschemtools/resources/css/BrainHalfHalf-120x139.png +0 -0
  16. pyphyschemtools/resources/css/BrainHalfHalf.base64 +8231 -0
  17. pyphyschemtools/resources/css/BrainHalfHalf.png +0 -0
  18. pyphyschemtools/resources/css/BrainHalfHalf.svg +289 -0
  19. pyphyschemtools/resources/css/visualID.css +325 -0
  20. pyphyschemtools/resources/img/Tranformative_3.webp +0 -0
  21. pyphyschemtools/resources/img/Tranformative_3_banner.png +0 -0
  22. pyphyschemtools/resources/img/pyPhysChem_1.png +0 -0
  23. pyphyschemtools/resources/svg/BrainHalfHalf.png +0 -0
  24. pyphyschemtools/resources/svg/BrainHalfHalf.svg +289 -0
  25. pyphyschemtools/resources/svg/GitHub-Logo-C.png +0 -0
  26. pyphyschemtools/resources/svg/GitHub-Logo.png +0 -0
  27. pyphyschemtools/resources/svg/Logo-Universite-Toulouse-n-2023.png +0 -0
  28. pyphyschemtools/resources/svg/Logo_pyPhysChem_1-translucentBgd-woName.png +0 -0
  29. pyphyschemtools/resources/svg/Logo_pyPhysChem_1-translucentBgd.png +0 -0
  30. pyphyschemtools/resources/svg/Logo_pyPhysChem_1.png +0 -0
  31. pyphyschemtools/resources/svg/Logo_pyPhysChem_1.svg +622 -0
  32. pyphyschemtools/resources/svg/Logo_pyPhysChem_5.png +0 -0
  33. pyphyschemtools/resources/svg/Logo_pyPhysChem_5.svg +48 -0
  34. pyphyschemtools/resources/svg/Logo_pyPhysChem_border.svg +1109 -0
  35. pyphyschemtools/resources/svg/Python-logo-notext.svg +265 -0
  36. pyphyschemtools/resources/svg/Python_logo_and_wordmark.svg.png +0 -0
  37. pyphyschemtools/resources/svg/UT3_logoQ.jpg +0 -0
  38. pyphyschemtools/resources/svg/UT3_logoQ.png +0 -0
  39. pyphyschemtools/resources/svg/Universite-Toulouse-n-2023.svg +141 -0
  40. pyphyschemtools/resources/svg/X.png +0 -0
  41. pyphyschemtools/resources/svg/logoAnaconda.png +0 -0
  42. pyphyschemtools/resources/svg/logoAnaconda.webp +0 -0
  43. pyphyschemtools/resources/svg/logoCNRS.png +0 -0
  44. pyphyschemtools/resources/svg/logoDebut.svg +316 -0
  45. pyphyschemtools/resources/svg/logoEnd.svg +172 -0
  46. pyphyschemtools/resources/svg/logoFin.svg +172 -0
  47. pyphyschemtools/resources/svg/logoPPCL.svg +359 -0
  48. pyphyschemtools/resources/svg/logoPytChem.png +0 -0
  49. pyphyschemtools/resources/svg/logo_lpcno_300_dpi_notexttransparent.png +0 -0
  50. pyphyschemtools/resources/svg/logo_pyPhysChem.png +0 -0
  51. pyphyschemtools/resources/svg/logo_pyPhysChem_0.png +0 -0
  52. pyphyschemtools/resources/svg/logo_pyPhysChem_0.svg +390 -0
  53. pyphyschemtools/resources/svg/logopyPhyschem.png +0 -0
  54. pyphyschemtools/resources/svg/logopyPhyschem_2.webp +0 -0
  55. pyphyschemtools/resources/svg/logopyPhyschem_3.webp +0 -0
  56. pyphyschemtools/resources/svg/logopyPhyschem_4.webp +0 -0
  57. pyphyschemtools/resources/svg/logopyPhyschem_5.png +0 -0
  58. pyphyschemtools/resources/svg/logopyPhyschem_5.webp +0 -0
  59. pyphyschemtools/resources/svg/logopyPhyschem_6.webp +0 -0
  60. pyphyschemtools/resources/svg/logopyPhyschem_7.webp +0 -0
  61. pyphyschemtools/resources/svg/logos-Anaconda-pyPhysChem.png +0 -0
  62. pyphyschemtools/resources/svg/logos-Anaconda-pyPhysChem.svg +58 -0
  63. pyphyschemtools/resources/svg/pyPCBanner.svg +309 -0
  64. pyphyschemtools/resources/svg/pyPhysChem-GitHubSocialMediaTemplate.png +0 -0
  65. pyphyschemtools/resources/svg/pyPhysChem-GitHubSocialMediaTemplate.svg +295 -0
  66. pyphyschemtools/resources/svg/pyPhysChemBanner.png +0 -0
  67. pyphyschemtools/resources/svg/pyPhysChemBanner.svg +639 -0
  68. pyphyschemtools/resources/svg/qrcode-pyPhysChem.png +0 -0
  69. pyphyschemtools/resources/svg/repository-open-graph-template.png +0 -0
  70. pyphyschemtools/spectra.py +451 -0
  71. pyphyschemtools/survey.py +1048 -0
  72. pyphyschemtools/sympyUtilities.py +51 -0
  73. pyphyschemtools/tools4AS.py +960 -0
  74. pyphyschemtools/visualID.py +101 -0
  75. pyphyschemtools/visualID_Eng.py +175 -0
  76. pyphyschemtools-0.1.0.dist-info/METADATA +38 -0
  77. pyphyschemtools-0.1.0.dist-info/RECORD +80 -0
  78. pyphyschemtools-0.1.0.dist-info/WHEEL +5 -0
  79. pyphyschemtools-0.1.0.dist-info/licenses/LICENSE +674 -0
  80. pyphyschemtools-0.1.0.dist-info/top_level.txt +1 -0
@@ -0,0 +1,172 @@
1
+ <?xml version="1.0" encoding="UTF-8" standalone="no"?>
2
+ <!-- Created with Inkscape (http://www.inkscape.org/) -->
3
+
4
+ <svg
5
+ width="152.22202mm"
6
+ height="11.5237mm"
7
+ viewBox="0 0 152.22201 11.5237"
8
+ version="1.1"
9
+ id="svg5"
10
+ inkscape:version="1.3 (0e150ed6c4, 2023-07-21)"
11
+ sodipodi:docname="logoEnd.svg"
12
+ xmlns:inkscape="http://www.inkscape.org/namespaces/inkscape"
13
+ xmlns:sodipodi="http://sodipodi.sourceforge.net/DTD/sodipodi-0.dtd"
14
+ xmlns="http://www.w3.org/2000/svg"
15
+ xmlns:svg="http://www.w3.org/2000/svg"
16
+ xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
17
+ xmlns:cc="http://creativecommons.org/ns#">
18
+ <sodipodi:namedview
19
+ id="namedview7"
20
+ pagecolor="#ffffff"
21
+ bordercolor="#666666"
22
+ borderopacity="1.0"
23
+ inkscape:pageshadow="2"
24
+ inkscape:pageopacity="1"
25
+ inkscape:pagecheckerboard="false"
26
+ inkscape:document-units="mm"
27
+ showgrid="false"
28
+ inkscape:zoom="1.28"
29
+ inkscape:cx="275.78125"
30
+ inkscape:cy="-138.28125"
31
+ inkscape:window-width="2330"
32
+ inkscape:window-height="1080"
33
+ inkscape:window-x="137"
34
+ inkscape:window-y="174"
35
+ inkscape:window-maximized="0"
36
+ inkscape:current-layer="layer1"
37
+ fit-margin-top="0"
38
+ fit-margin-left="0"
39
+ fit-margin-right="0"
40
+ fit-margin-bottom="0"
41
+ showborder="true"
42
+ inkscape:showpageshadow="false"
43
+ borderlayer="true"
44
+ inkscape:deskcolor="#d1d1d1" />
45
+ <defs
46
+ id="defs2">
47
+ <filter
48
+ style="color-interpolation-filters:sRGB"
49
+ inkscape:label="Drop Shadow"
50
+ id="filter2"
51
+ x="-0.012108701"
52
+ y="-0.061689762"
53
+ width="1.034308"
54
+ height="1.1747877">
55
+ <feFlood
56
+ result="flood"
57
+ in="SourceGraphic"
58
+ flood-opacity="0.443137"
59
+ flood-color="rgb(0,0,0)"
60
+ id="feFlood1" />
61
+ <feGaussianBlur
62
+ result="blur"
63
+ in="SourceGraphic"
64
+ stdDeviation="0.200000"
65
+ id="feGaussianBlur1" />
66
+ <feOffset
67
+ result="offset"
68
+ in="blur"
69
+ dx="0.400000"
70
+ dy="0.400000"
71
+ id="feOffset1" />
72
+ <feComposite
73
+ result="comp1"
74
+ operator="in"
75
+ in="flood"
76
+ in2="offset"
77
+ id="feComposite1" />
78
+ <feComposite
79
+ result="comp2"
80
+ operator="over"
81
+ in="SourceGraphic"
82
+ in2="comp1"
83
+ id="feComposite2" />
84
+ </filter>
85
+ <filter
86
+ style="color-interpolation-filters:sRGB"
87
+ inkscape:label="Drop Shadow"
88
+ id="filter4"
89
+ x="-0.0031817155"
90
+ width="1.0090149"
91
+ y="-inf"
92
+ height="inf">
93
+ <feFlood
94
+ result="flood"
95
+ in="SourceGraphic"
96
+ flood-opacity="0.443137"
97
+ flood-color="rgb(0,0,0)"
98
+ id="feFlood2" />
99
+ <feGaussianBlur
100
+ result="blur"
101
+ in="SourceGraphic"
102
+ stdDeviation="0.200000"
103
+ id="feGaussianBlur2" />
104
+ <feOffset
105
+ result="offset"
106
+ in="blur"
107
+ dx="0.400000"
108
+ dy="0.400000"
109
+ id="feOffset2" />
110
+ <feComposite
111
+ result="comp1"
112
+ operator="in"
113
+ in="flood"
114
+ in2="offset"
115
+ id="feComposite3" />
116
+ <feComposite
117
+ result="comp2"
118
+ operator="over"
119
+ in="SourceGraphic"
120
+ in2="comp1"
121
+ id="feComposite4" />
122
+ </filter>
123
+ </defs>
124
+ <g
125
+ inkscape:label="Layer 1"
126
+ inkscape:groupmode="layer"
127
+ id="layer1"
128
+ transform="translate(-71.430075,-24.077723)">
129
+ <path
130
+ style="fill:#6e6f71;fill-opacity:1;fill-rule:evenodd;stroke:#6e6f71;stroke-width:0.5;stroke-linecap:butt;stroke-linejoin:miter;stroke-miterlimit:4;stroke-dasharray:none;stroke-opacity:1;filter:url(#filter4)"
131
+ d="M 71.910075,35.601423 H 222.77209"
132
+ id="path3627" />
133
+ <text
134
+ xml:space="preserve"
135
+ style="font-weight:bold;font-size:8.46667px;line-height:0px;font-family:Calibri;-inkscape-font-specification:'Calibri Bold';text-align:center;text-decoration-color:#000000;letter-spacing:0.79375px;word-spacing:1.05833px;text-anchor:middle;fill:#000000;stroke:#000000;stroke-width:0.264583px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;-inkscape-stroke:none;filter:url(#filter2);stop-color:#000000"
136
+ x="147.34955"
137
+ y="30.814592"
138
+ id="text1469"><tspan
139
+ sodipodi:role="line"
140
+ id="tspan1467"
141
+ style="font-style:normal;font-variant:normal;font-weight:300;font-stretch:normal;font-size:8.46667px;font-family:Cantarell;-inkscape-font-specification:'Cantarell Light';fill:#800000;stroke:none;stroke-width:0.264583px"
142
+ x="147.74643"
143
+ y="30.814592">[ E N D ]</tspan></text>
144
+ </g>
145
+ <metadata
146
+ id="metadata847">
147
+ <rdf:RDF>
148
+ <cc:Work
149
+ rdf:about="">
150
+ <cc:license
151
+ rdf:resource="http://creativecommons.org/licenses/by-nc-sa/4.0/" />
152
+ </cc:Work>
153
+ <cc:License
154
+ rdf:about="http://creativecommons.org/licenses/by-nc-sa/4.0/">
155
+ <cc:permits
156
+ rdf:resource="http://creativecommons.org/ns#Reproduction" />
157
+ <cc:permits
158
+ rdf:resource="http://creativecommons.org/ns#Distribution" />
159
+ <cc:requires
160
+ rdf:resource="http://creativecommons.org/ns#Notice" />
161
+ <cc:requires
162
+ rdf:resource="http://creativecommons.org/ns#Attribution" />
163
+ <cc:prohibits
164
+ rdf:resource="http://creativecommons.org/ns#CommercialUse" />
165
+ <cc:permits
166
+ rdf:resource="http://creativecommons.org/ns#DerivativeWorks" />
167
+ <cc:requires
168
+ rdf:resource="http://creativecommons.org/ns#ShareAlike" />
169
+ </cc:License>
170
+ </rdf:RDF>
171
+ </metadata>
172
+ </svg>
@@ -0,0 +1,172 @@
1
+ <?xml version="1.0" encoding="UTF-8" standalone="no"?>
2
+ <!-- Created with Inkscape (http://www.inkscape.org/) -->
3
+
4
+ <svg
5
+ width="152.22202mm"
6
+ height="11.5237mm"
7
+ viewBox="0 0 152.22201 11.5237"
8
+ version="1.1"
9
+ id="svg5"
10
+ inkscape:version="1.3 (0e150ed6c4, 2023-07-21)"
11
+ sodipodi:docname="logoFin.svg"
12
+ xmlns:inkscape="http://www.inkscape.org/namespaces/inkscape"
13
+ xmlns:sodipodi="http://sodipodi.sourceforge.net/DTD/sodipodi-0.dtd"
14
+ xmlns="http://www.w3.org/2000/svg"
15
+ xmlns:svg="http://www.w3.org/2000/svg"
16
+ xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
17
+ xmlns:cc="http://creativecommons.org/ns#">
18
+ <sodipodi:namedview
19
+ id="namedview7"
20
+ pagecolor="#ffffff"
21
+ bordercolor="#666666"
22
+ borderopacity="1.0"
23
+ inkscape:pageshadow="2"
24
+ inkscape:pageopacity="1"
25
+ inkscape:pagecheckerboard="false"
26
+ inkscape:document-units="mm"
27
+ showgrid="false"
28
+ inkscape:zoom="1.28"
29
+ inkscape:cx="276.5625"
30
+ inkscape:cy="-139.0625"
31
+ inkscape:window-width="2330"
32
+ inkscape:window-height="1080"
33
+ inkscape:window-x="137"
34
+ inkscape:window-y="174"
35
+ inkscape:window-maximized="0"
36
+ inkscape:current-layer="layer1"
37
+ fit-margin-top="0"
38
+ fit-margin-left="0"
39
+ fit-margin-right="0"
40
+ fit-margin-bottom="0"
41
+ showborder="true"
42
+ inkscape:showpageshadow="false"
43
+ borderlayer="true"
44
+ inkscape:deskcolor="#d1d1d1" />
45
+ <defs
46
+ id="defs2">
47
+ <filter
48
+ style="color-interpolation-filters:sRGB"
49
+ inkscape:label="Drop Shadow"
50
+ id="filter2"
51
+ x="-0.017109685"
52
+ y="-0.061689762"
53
+ width="1.0484774"
54
+ height="1.1747877">
55
+ <feFlood
56
+ result="flood"
57
+ in="SourceGraphic"
58
+ flood-opacity="0.443137"
59
+ flood-color="rgb(0,0,0)"
60
+ id="feFlood1" />
61
+ <feGaussianBlur
62
+ result="blur"
63
+ in="SourceGraphic"
64
+ stdDeviation="0.200000"
65
+ id="feGaussianBlur1" />
66
+ <feOffset
67
+ result="offset"
68
+ in="blur"
69
+ dx="0.400000"
70
+ dy="0.400000"
71
+ id="feOffset1" />
72
+ <feComposite
73
+ result="comp1"
74
+ operator="in"
75
+ in="flood"
76
+ in2="offset"
77
+ id="feComposite1" />
78
+ <feComposite
79
+ result="comp2"
80
+ operator="over"
81
+ in="SourceGraphic"
82
+ in2="comp1"
83
+ id="feComposite2" />
84
+ </filter>
85
+ <filter
86
+ style="color-interpolation-filters:sRGB"
87
+ inkscape:label="Drop Shadow"
88
+ id="filter4"
89
+ x="-0.0031817155"
90
+ width="1.0090149"
91
+ y="-inf"
92
+ height="inf">
93
+ <feFlood
94
+ result="flood"
95
+ in="SourceGraphic"
96
+ flood-opacity="0.443137"
97
+ flood-color="rgb(0,0,0)"
98
+ id="feFlood2" />
99
+ <feGaussianBlur
100
+ result="blur"
101
+ in="SourceGraphic"
102
+ stdDeviation="0.200000"
103
+ id="feGaussianBlur2" />
104
+ <feOffset
105
+ result="offset"
106
+ in="blur"
107
+ dx="0.400000"
108
+ dy="0.400000"
109
+ id="feOffset2" />
110
+ <feComposite
111
+ result="comp1"
112
+ operator="in"
113
+ in="flood"
114
+ in2="offset"
115
+ id="feComposite3" />
116
+ <feComposite
117
+ result="comp2"
118
+ operator="over"
119
+ in="SourceGraphic"
120
+ in2="comp1"
121
+ id="feComposite4" />
122
+ </filter>
123
+ </defs>
124
+ <g
125
+ inkscape:label="Layer 1"
126
+ inkscape:groupmode="layer"
127
+ id="layer1"
128
+ transform="translate(-71.430075,-24.077723)">
129
+ <path
130
+ style="fill:#6e6f71;fill-opacity:1;fill-rule:evenodd;stroke:#6e6f71;stroke-width:0.5;stroke-linecap:butt;stroke-linejoin:miter;stroke-miterlimit:4;stroke-dasharray:none;stroke-opacity:1;filter:url(#filter4)"
131
+ d="M 71.910075,35.601423 H 222.77209"
132
+ id="path3627" />
133
+ <text
134
+ xml:space="preserve"
135
+ style="font-weight:bold;font-size:8.46667px;line-height:0px;font-family:Calibri;-inkscape-font-specification:'Calibri Bold';text-align:center;text-decoration-color:#000000;letter-spacing:0.79375px;word-spacing:1.05833px;text-anchor:middle;fill:#000000;stroke:#000000;stroke-width:0.264583px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;-inkscape-stroke:none;filter:url(#filter2);stop-color:#000000"
136
+ x="147.34955"
137
+ y="30.814592"
138
+ id="text1469"><tspan
139
+ sodipodi:role="line"
140
+ id="tspan1467"
141
+ style="font-style:normal;font-variant:normal;font-weight:300;font-stretch:normal;font-size:8.46667px;font-family:Cantarell;-inkscape-font-specification:'Cantarell Light';fill:#800000;stroke:none;stroke-width:0.264583px"
142
+ x="147.74643"
143
+ y="30.814592">[ FIN ]</tspan></text>
144
+ </g>
145
+ <metadata
146
+ id="metadata847">
147
+ <rdf:RDF>
148
+ <cc:Work
149
+ rdf:about="">
150
+ <cc:license
151
+ rdf:resource="http://creativecommons.org/licenses/by-nc-sa/4.0/" />
152
+ </cc:Work>
153
+ <cc:License
154
+ rdf:about="http://creativecommons.org/licenses/by-nc-sa/4.0/">
155
+ <cc:permits
156
+ rdf:resource="http://creativecommons.org/ns#Reproduction" />
157
+ <cc:permits
158
+ rdf:resource="http://creativecommons.org/ns#Distribution" />
159
+ <cc:requires
160
+ rdf:resource="http://creativecommons.org/ns#Notice" />
161
+ <cc:requires
162
+ rdf:resource="http://creativecommons.org/ns#Attribution" />
163
+ <cc:prohibits
164
+ rdf:resource="http://creativecommons.org/ns#CommercialUse" />
165
+ <cc:permits
166
+ rdf:resource="http://creativecommons.org/ns#DerivativeWorks" />
167
+ <cc:requires
168
+ rdf:resource="http://creativecommons.org/ns#ShareAlike" />
169
+ </cc:License>
170
+ </rdf:RDF>
171
+ </metadata>
172
+ </svg>