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update readme, help
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tmkontra committed Jul 19, 2020
1 parent 89c7661 commit 276a91c
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27 changes: 13 additions & 14 deletions README.md
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Expand Up @@ -5,29 +5,28 @@ A toolkit for stoichiometry.

### Features
- Calculates percent yield
- given limiting reagent, product and respective masses (in grams)
- given a fully balanced chemical reaction, and respective masses (in grams)

### Usage

```$xslt
$ stoichkit --help
StoichKit 0.1
stoichkit 0.1.0
USAGE:
stoichkit <reagent_formula> <reagent_grams> <product_formula> <product_grams>
stoichkit [substances]...
ARGS:
<substances>... Fully balanced chemical reaction list: [<coeff>*]<formula> <grams>, coeff defaults to 1
FLAGS:
-h, --help Prints help information
-V, --version Prints version information
```

ARGS:
<reagent_formula>
<reagent_grams>
<product_formula>
<product_grams>
$ stoichkit C2H6 30.00213 "(CH3)2" 26.98
Yield: 1.1120138
```
$ stoichkit "2*Al" 2.8 "3*Cl2" 4.25 "2*AlCl3" 4.889
Yield: 0.91756254
```

### Installation
Expand All @@ -39,7 +38,7 @@ Yield: 1.1120138

### Roadmap

1. Accept all reagents and determine limiting reagent.
2. Add desktop GUI
3. Use StoichKit to power a web UI.
- [x] Accept all reagents and determine limiting reagent.
- [ ] Add desktop GUI
- [ ] Use StoichKit to power a web UI.

3 changes: 3 additions & 0 deletions src/main.rs
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Expand Up @@ -17,6 +17,9 @@ use std::collections::HashMap;
#[derive(Clap)]
#[clap(version = "0.1.0")]
struct ReactionList {
#[clap(
about = "Fully balanced chemical reaction list: [<coeff>*]<formula> <grams>, coeff defaults to 1"
)]
substances: Vec<String>,
}

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