From d78f8bd837f0c033ce0c85a306ff89bee84429e0 Mon Sep 17 00:00:00 2001 From: Avratanu Biswas Date: Mon, 23 May 2022 22:13:55 +0200 Subject: [PATCH] cleaned repo :sparkles: --- speckmol/__pycache__/funx.cpython-310.pyc | Bin 759 -> 0 bytes speckmol/__pycache__/funx.cpython-38.pyc | Bin 1766 -> 0 bytes speckmol/funx.py | 45 ---------------------- 3 files changed, 45 deletions(-) delete mode 100644 speckmol/__pycache__/funx.cpython-310.pyc delete mode 100644 speckmol/__pycache__/funx.cpython-38.pyc delete mode 100644 speckmol/funx.py diff --git a/speckmol/__pycache__/funx.cpython-310.pyc b/speckmol/__pycache__/funx.cpython-310.pyc deleted file mode 100644 index 1d814c3d06caa8712a34c290001b294792f9a491..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 759 zcmYjP!H&}~5Vf5+Nz-jAxY(?!wiUMe86Z^c0U(n=M#liz*d{|lXN&h;ZGcVu(UQn;z(CFl_>_J`L)Kl3enwGY74yX1{jeBFq*{(Tw0D?z6? J!6R=ce*ixn!ioR@ diff --git a/speckmol/__pycache__/funx.cpython-38.pyc b/speckmol/__pycache__/funx.cpython-38.pyc deleted file mode 100644 index 4adb44e3dbb873abf046e92a63533682c946d20d..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 1766 zcmaJ?&2Hm15GG|wmX)MiB2YeuN1uXVh+%=;mk&#K6+HHZS4*gs&o>N70Zn)B3J!ywm$Lr0H+zgtS95bubmM3uR~ftFhCswlEEvuFp3vIs{(sYbCDS`H@P5fXw9Kj$E$mg_DH-LNKcg%0x%|0ik8mTGjgGp{9&E%mPxxR zS!EDZ#|{Zeec+2a&HjIrB>&$fwn@{Qlin`xGU&@;x5|dzvVVm)~+&i8$4WPU!Sg7+W7uD0dcpU8r3&Gno)Wp0l5T+9{Mb1B%? z@JtG+oZ{db<$o}_G$Je7XuX}dx4<66p2sUcv~X}#y4gKd?k4itQji(!H^nqmNTN)iki_2UdoZ*5M0QS-yj_5XtpfY!*T;B;Yz%O4(VF5J_Lb2cniOeQ~WkQ z#_D6x2a$p{id5)?`+6uh_iT{ZciI~|Y>DgP^<(ueOt8WAW1GU^Hs`30U8p-h^}q=S i?K$s=kHBV=Qz!sv&QCFD+C?4X1RvtWeWdE&zyAS{CkICW diff --git a/speckmol/funx.py b/speckmol/funx.py deleted file mode 100644 index 6f0cb78..0000000 --- a/speckmol/funx.py +++ /dev/null @@ -1,45 +0,0 @@ -import streamlit.components.v1 as components -import ipywidgets as widgets -from ipywidgets import embed -import ipyspeck - -def spec_plot(_xyz, wbox_height="700px", - wbox_width="800px", - component_h = 700, - component_w = 800, - scroll = False): - - """ Plots the speckmol molecule using the ipyspeck library and returns - the . - - Parameters - ---------- - _xyz : str - The xyz string of the molecule. - wbox_height : str - The height of the widget box. - wbox_width : str - The width of the widget box. - component_h : int - The height of the streamlit html component. - component_w : int - The width of the streamlit html component. - scroll : bool - If True, the streamlit component will scroll. - - Returns - ------- - spec_xyz : - The speckmol molecule. spec_xyz.keys() returns the keys of the - molecule. For example - spec_xyz.keys() returns ['atomScale', - 'bondScale', 'atomShade', 'bondThreshold', 'bondColor', 'atomColor', - 'outline', 'bonds', 'atomScale', 'atomColor', 'atomScale', 'atomScale] - These keys are useful for modifying the molecule. - - """ - spec_xyz = ipyspeck.speck.Speck(data=_xyz) - widg = widgets.Box([spec_xyz], layout=widgets.Layout(height=wbox_height,width=wbox_width)) - sc = embed.embed_snippet(widg) - html = embed.html_template.format(title="", snippet=sc) - components.html(html,height = component_h, width = component_w,scrolling=scroll) - return spec_xyz \ No newline at end of file