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Commit 2d31b064 authored by Emre Ahmetcik's avatar Emre Ahmetcik
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inverse packing factor: IPF

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beaker-notebooks/sisso-metal-nonmetal.bkr
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......@@ -414,7 +414,7 @@
" <label class =\"col-xs-4 col-md-4 col-lg-3\"> <input type=\"checkbox\" value=\"IE\" CHECKED > <span title=\"Atomic ionization energy\"><i>IE</i> </span></label>",
" <label class =\"col-xs-4 col-md-4 col-lg-3\"> <input type=\"checkbox\" value=\"Xp\" CHECKED > <span title=\"Pauling electronegativity\"> <i>&#967</i><sub>p</sub></span></label>",
" <label class =\"col-xs-4 col-md-4 col-lg-3\"> <input type=\"checkbox\" value=\"x\" CHECKED > <span title=\"Atomic composition\"> <i>x</i> </span> </label>",
" <label class =\"col-xs-4 col-md-4 col-lg-3\"> <input type=\"checkbox\" value=\"(1/PF)\" CHECKED > <span title=\"Inverse packing factor: Vcell/&#931; Vatom\"> <i>1/PF</i> </span> </label>",
" <label class =\"col-xs-4 col-md-4 col-lg-3\"> <input type=\"checkbox\" value=\"IPF\" CHECKED > <span title=\"Inverse packing factor: Vcell/&#931; Vatom\"> <i>IPF</i> </span> </label>",
" </div>",
" </form>",
" </div> <!-- End of row-->",
......@@ -471,9 +471,9 @@
"result": {
"type": "BeakerDisplay",
"innertype": "Html",
"object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<style type=\"text/css\">\n .lasso_control{\n margin-left: 10px;\n }\n</style>\n<div class=\"lasso_control\" id=\"lasso-hidden-settings-div\"> \n <div class=\"row\">\n <p class=\"lasso_selection_description\"><b>Primary features </b>\n (hover the mouse\npointer over the feature names to see a full description):</p>\n <form id=\"lasso_features_select\">\n <div class=\"lasso_form_group\">\n <label class=\"col-xs-4 col-md-4 col-lg-3\"> <input value=\"IE\" checked=\"\" type=\"checkbox\"> <span title=\"Atomic ionization energy\"><i>IE</i> </span></label>\n <label class=\"col-xs-4 col-md-4 col-lg-3\"> <input value=\"Xp\" checked=\"\" type=\"checkbox\"> <span title=\"Pauling electronegativity\"> <i>χ</i><sub>p</sub></span></label>\n <label class=\"col-xs-4 col-md-4 col-lg-3\"> <input value=\"x\" checked=\"\" type=\"checkbox\"> <span title=\"Atomic composition\"> <i>x</i> </span> </label>\n <label class=\"col-xs-4 col-md-4 col-lg-3\"> <input value=\"(1/PF)\" checked=\"\" type=\"checkbox\"> <span title=\"Inverse packing factor: Vcell/Σ Vatom\"> <i>1/PF</i> </span> </label>\n </div>\n </form>\n </div> <!-- End of row-->\n <div class=\"row\"> <!-- Start of second row-->\n <p class=\"lasso_selection_description\"><b>Allowed operations:</b> <br>\n Given features x and y, apply these operations for feature space construction:</p>\n <form id=\"lasso_operators_select\">\n <div class=\"lasso_form_group\">\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"+\" checked=\"\" type=\"checkbox\"> x+y </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"-\" checked=\"\" type=\"checkbox\"> x-y </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"|-|\" checked=\"\" type=\"checkbox\"> |x-y| </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"*\" checked=\"\" type=\"checkbox\"> x · y </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"/\" checked=\"\" type=\"checkbox\"> x/y </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"^-1\" checked=\"\" type=\"checkbox\"> x^(-1) </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"^2\" checked=\"\" type=\"checkbox\"> x^2 </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"^3\" checked=\"\" type=\"checkbox\"> x^3 </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"sqrt\" checked=\"\" type=\"checkbox\"> √<span style=\"text-decoration: overline\">x</span> </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"exp\" checked=\"\" type=\"checkbox\"> exp(x) </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"exp-\" type=\"checkbox\"> exp(-x) </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"log\" checked=\"\" type=\"checkbox\"> log(x) </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"SCD\" type=\"checkbox\"> <span title=\"Standard Cauchy distribution\"> SCD </span> </label>\n </div> \n </form>\n </div> <!-- End of row-->\n <div class=\"row\"> <!-- Start of third row-->\n <p class=\"lasso_selection_description\"><b>Number of iterations for the construction for the feature space: </b> \n <select id=\"n_comb\">\n <option value=\"1\"> 1</option>\n <option value=\"2\" selected=\"selected\"> 2</option>\n <option value=\"3\"> 3</option>\n </select> \n </p>\n \n <p class=\"lasso_selection_description\"><b>Number of collected features per SIS iteration: </b> \n <input name=\"quantity\" id=\"n_sis\" min=\"1\" max=\"3701\" value=\"10\" step=\"100\" type=\"number\"> </p>\n\n </div><!-- End of row-->\n\n<!-- <span title=''> <img src=\"http://images.clipartpanda.com/question-purzen_Icon_with_question_mark_Vector_Clipart.png\" style=\"height: 30px; width: 30px;\"> </span> -->\n<!-- <button class=\"btn btn-default\" onclick='run_lasso()'>RUN LASSO+L0</button> -->\n<!-- <button class=\"btn btn-default\" onclick='reset_lasso()'>RESET</button> -->\n<!-- <label title=\"This button becomes active when the\nrun is finished. By clicking it, an interactive plot of the first 2\ndimensions of the optimized descriptor will be opened\"> \n <a href=\"#\" target=\"_blank\" class=\"btn btn-primary disabled\" id=\"lasso_result_button\" >View interactive 2D scatter plot</a> </label> -->\n</div>"
"object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<style type=\"text/css\">\n .lasso_control{\n margin-left: 10px;\n }\n</style>\n<div class=\"lasso_control\" id=\"lasso-hidden-settings-div\"> \n <div class=\"row\">\n <p class=\"lasso_selection_description\"><b>Primary features </b>\n (hover the mouse\npointer over the feature names to see a full description):</p>\n <form id=\"lasso_features_select\">\n <div class=\"lasso_form_group\">\n <label class=\"col-xs-4 col-md-4 col-lg-3\"> <input value=\"IE\" checked=\"\" type=\"checkbox\"> <span title=\"Atomic ionization energy\"><i>IE</i> </span></label>\n <label class=\"col-xs-4 col-md-4 col-lg-3\"> <input value=\"Xp\" checked=\"\" type=\"checkbox\"> <span title=\"Pauling electronegativity\"> <i>χ</i><sub>p</sub></span></label>\n <label class=\"col-xs-4 col-md-4 col-lg-3\"> <input value=\"x\" checked=\"\" type=\"checkbox\"> <span title=\"Atomic composition\"> <i>x</i> </span> </label>\n <label class=\"col-xs-4 col-md-4 col-lg-3\"> <input value=\"IPF\" checked=\"\" type=\"checkbox\"> <span title=\"Inverse packing factor: Vcell/Σ Vatom\"> <i>IPF</i> </span> </label>\n </div>\n </form>\n </div> <!-- End of row-->\n <div class=\"row\"> <!-- Start of second row-->\n <p class=\"lasso_selection_description\"><b>Allowed operations:</b> <br>\n Given features x and y, apply these operations for feature space construction:</p>\n <form id=\"lasso_operators_select\">\n <div class=\"lasso_form_group\">\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"+\" checked=\"\" type=\"checkbox\"> x+y </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"-\" checked=\"\" type=\"checkbox\"> x-y </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"|-|\" checked=\"\" type=\"checkbox\"> |x-y| </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"*\" checked=\"\" type=\"checkbox\"> x · y </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"/\" checked=\"\" type=\"checkbox\"> x/y </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"^-1\" checked=\"\" type=\"checkbox\"> x^(-1) </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"^2\" checked=\"\" type=\"checkbox\"> x^2 </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"^3\" checked=\"\" type=\"checkbox\"> x^3 </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"sqrt\" checked=\"\" type=\"checkbox\"> √<span style=\"text-decoration: overline\">x</span> </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"exp\" checked=\"\" type=\"checkbox\"> exp(x) </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"exp-\" type=\"checkbox\"> exp(-x) </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"log\" checked=\"\" type=\"checkbox\"> log(x) </label>\n <label class=\"col-xs-4 col-md-4 col-lg-1\"> <input value=\"SCD\" type=\"checkbox\"> <span title=\"Standard Cauchy distribution\"> SCD </span> </label>\n </div> \n </form>\n </div> <!-- End of row-->\n <div class=\"row\"> <!-- Start of third row-->\n <p class=\"lasso_selection_description\"><b>Number of iterations for the construction for the feature space: </b> \n <select id=\"n_comb\">\n <option value=\"1\"> 1</option>\n <option value=\"2\" selected=\"selected\"> 2</option>\n <option value=\"3\"> 3</option>\n </select> \n </p>\n \n <p class=\"lasso_selection_description\"><b>Number of collected features per SIS iteration: </b> \n <input name=\"quantity\" id=\"n_sis\" min=\"1\" max=\"3701\" value=\"10\" step=\"100\" type=\"number\"> </p>\n\n </div><!-- End of row-->\n\n<!-- <span title=''> <img src=\"http://images.clipartpanda.com/question-purzen_Icon_with_question_mark_Vector_Clipart.png\" style=\"height: 30px; width: 30px;\"> </span> -->\n<!-- <button class=\"btn btn-default\" onclick='run_lasso()'>RUN LASSO+L0</button> -->\n<!-- <button class=\"btn btn-default\" onclick='reset_lasso()'>RESET</button> -->\n<!-- <label title=\"This button becomes active when the\nrun is finished. By clicking it, an interactive plot of the first 2\ndimensions of the optimized descriptor will be opened\"> \n <a href=\"#\" target=\"_blank\" class=\"btn btn-primary disabled\" id=\"lasso_result_button\" >View interactive 2D scatter plot</a> </label> -->\n</div>"
},
"elapsedTime": 0
"elapsedTime": 1
},
"evaluatorReader": true,
"lineCount": 62,
......@@ -546,7 +546,7 @@
"evaluator": "IPython",
"input": {
"body": [
"data = [['compound', 'structure', 'target', 'IE(A)', 'IE(B)', 'Xp(A)', 'Xp(B)', '(1/PF)', 'x(A)', 'x(B)'],",
"data = [['compound', 'structure', 'target', 'IE(A)', 'IE(B)', 'Xp(A)', 'Xp(B)', 'IPF', 'x(A)', 'x(B)'],",
" ['Li', 'bcc', 'metal', 5.391, 5.391, 0.98, 0.98, 2.4611, 0.5, 0.5],",
" ['Na', 'bcc', 'metal', 5.138, 5.138, 0.93, 0.93, 2.0505, 0.5, 0.5],",
" ['K', 'bcc', 'metal', 4.34, 4.34, 0.82, 0.82, 2.1364, 0.5, 0.5],",
......@@ -914,8 +914,8 @@
"state": {},
"selectedType": "Hidden",
"pluginName": "IPython",
"shellId": "2BB4DC50E8A74F72A57B5B1FF807D8C8",
"elapsedTime": 4129
"shellId": "5F3355B3A3C14E908F48D87B83D3C557",
"elapsedTime": 4220
},
"evaluatorReader": true,
"lineCount": 361,
......@@ -943,7 +943,7 @@
"# reference units/ dimensions",
"f_lists_by_units = [['IE(A)', 'IE(B)'],",
" ['Xp(A)', 'Xp(B)'],",
" ['(1/PF)']]",
" ['IPF']]",
"f_lists_by_units_flat = [b for a in f_lists_by_units for b in a]",
"",
"# set unit_classes",
......@@ -1009,8 +1009,8 @@
"output": {
"state": {},
"pluginName": "IPython",
"shellId": "2BB4DC50E8A74F72A57B5B1FF807D8C8",
"elapsedTime": 328,
"shellId": "5F3355B3A3C14E908F48D87B83D3C557",
"elapsedTime": 333,
"selectedType": "Hidden"
},
"evaluatorReader": true,
......
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