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Diff for: ‎0_jupyter_intro.ipynb

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{
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"cells": [
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{
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"cell_type": "markdown",
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"metadata": {
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"deletable": true,
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"editable": true
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},
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"source": [
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"To run a cell, click on it and use shift-enter:"
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]
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},
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{
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"cell_type": "code",
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"execution_count": null,
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"metadata": {
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"collapsed": true,
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"deletable": true,
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"editable": true
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},
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"outputs": [],
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"source": [
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"import openpathsampling as paths"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"While it is working (which sometimes takes a while for the first cell) you will see a `*`. Once it is done, you'll see a number"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {
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"deletable": true,
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"editable": true
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},
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"source": [
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"If you want a little information about an object, use the `?` operator."
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]
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},
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{
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"cell_type": "code",
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"execution_count": null,
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"metadata": {
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"collapsed": true,
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"deletable": true,
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"editable": true
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},
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"outputs": [],
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"source": [
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"?paths.ShootingPointAnalysis"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {
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"deletable": true,
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"editable": true
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},
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"source": [
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"The `?` can come before or after the object:"
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]
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},
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{
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"cell_type": "code",
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"execution_count": null,
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"metadata": {
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"collapsed": true,
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"deletable": true,
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"editable": true
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},
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"outputs": [],
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"source": [
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"paths.CommittorSimulation?"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {
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"deletable": true,
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"editable": true
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},
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"source": [
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"There's also a `help()` function, which gives much more detailed information, including all the inherited methods for a class. Note that this reports in the output, whereas the others pop up a special window. That's because `help` is standard Python, whereas `?` is an IPython extension."
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]
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},
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{
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"cell_type": "code",
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"execution_count": null,
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"metadata": {
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"collapsed": false,
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"deletable": true,
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"editable": true
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},
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"outputs": [],
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"source": [
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"help(paths.CVDefinedVolume)"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {
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"deletable": true,
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"editable": true
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},
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"source": [
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"You can also use the `??` operator to get directly to the code:"
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]
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},
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{
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"cell_type": "code",
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"execution_count": null,
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"metadata": {
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"collapsed": true,
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"deletable": true,
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"editable": true
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},
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"outputs": [],
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"source": [
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"??paths.PathSampling"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {
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"deletable": true,
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"editable": true
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},
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"source": [
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"All of these work with any object (including instances of object) or any method/function. If thing being queried is missing a docstring, then `?` isn't very informative, but you can always see the code with `??`.\n",
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"\n",
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"Also, try using shift-tab while the cursor is inside the word `PathSampling`. This gives a very brief description. Hit shift-tab a second time, and it is like the `?` operator."
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {
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"deletable": true,
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"editable": true
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},
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"source": [
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"Jupyter notebooks (and IPython) also support tab-completion. This can be a quick way to browse for functions. In the cell below, type `paths.` and hit tab: you'll see a list of the (many) options."
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]
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},
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{
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"cell_type": "code",
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"execution_count": null,
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"metadata": {
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"collapsed": true,
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"deletable": true,
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"editable": true
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},
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"outputs": [],
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"source": [
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"paths."
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"The order in which you execute cells matters, not the order in which the cells occur. For example, if you execute the next cell, you'll get an error:"
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]
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},
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{
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"cell_type": "code",
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"execution_count": null,
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"metadata": {
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"collapsed": false
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},
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"outputs": [],
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"source": [
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"print message"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"However, if you execute the cell below this, then the cell above it, it will work. Note that the number to the left of the cell changes."
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]
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},
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{
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"cell_type": "code",
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"execution_count": null,
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"metadata": {
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"collapsed": true
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},
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"outputs": [],
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"source": [
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"message = \"Hello world\""
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {
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"deletable": true,
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"editable": true
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},
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"source": [
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"Notebooks are extremely useful for the way they allow you to combine code with text. All the little text I've interleaved here is simply Markdown-formatted. You can change the nature of the cell by going to the Cell -> Cell Type menu.\n",
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"\n",
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"Take the cell below, and change it back and forth between Markdown and Code types. Hit shift-enter to see the Markdown rendered."
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]
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},
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{
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"cell_type": "code",
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"execution_count": null,
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"metadata": {
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"collapsed": true,
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"deletable": true,
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"editable": true
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},
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"outputs": [],
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"source": [
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"# Shows as comment in code; as header in Markdown. *Italics in Markdown*"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {
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"deletable": true,
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"editable": true
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},
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"source": [
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"To learn more about Jupyter, go through the Help menu."
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]
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}
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],
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"metadata": {
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"kernelspec": {
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"display_name": "Python 2",
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"language": "python",
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"name": "python2"
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},
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"language_info": {
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"codemirror_mode": {
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"name": "ipython",
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"version": 2
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},
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"file_extension": ".py",
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"mimetype": "text/x-python",
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"name": "python",
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"nbconvert_exporter": "python",
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"pygments_lexer": "ipython2",
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"version": "2.7.13"
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}
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},
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"nbformat": 4,
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"nbformat_minor": 1
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}

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