Add more macros (#20)

pumken · Mar 22, 2023 · f3474c7 · f3474c7
1 parent ccd98a8
commit f3474c7
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Showing 13 changed files with 392 additions and 145 deletions.
diff --git a/Cargo.lock b/Cargo.lock
diff --git a/Cargo.toml b/Cargo.toml
@@ -1,6 +1,6 @@
 [package]
 name = "chemcreator"
-version = "1.2.0"
+version = "1.2.1"
 description = "A text-based tool for identifying organic molecules."
 authors = ["Gavin Tran"]
 readme = "README.md"

diff --git a/README.md b/README.md
@@ -36,9 +36,11 @@ you try it out and find something named incorrectly, please open an issue!
 - [x] Alkenes
 - [x] Alkynes
 - [x] Alcohols
-- [ ] Aldehydes
+- [x] Aldehydes
+- [x] Amides
+- [x] Amines
 - [x] Carboxylic acids
 - [ ] Ethers
 - [x] Ketones
-- [ ] Halogenoalkanes
+- [x] Halogenoalkanes
 - [ ] Esters
diff --git a/src/chain.rs b/src/chain.rs
@@ -215,7 +215,6 @@ mod tests {
     use crate::graph_with;
     use crate::molecule::BondOrder::Single;
     use crate::molecule::Element::{C, H};
-    use crate::test_utils::unwrap_atom;
     use crate::test_utils::GW::{A, B};
 
     // Also checks accumulate_carbons
@@ -226,7 +225,7 @@ mod tests {
             [1, 0; A(C)],
             [2, 0; A(C)], [2, 1; A(C)], [2, 2; A(C)],
             [3, 0; A(C)],
-            [4, 0; A(C)]
+            [4, 0; A(C)],
         );
         let accumulator = endpoint_head_chains(
             Atom {
@@ -251,7 +250,7 @@ mod tests {
             [1, 0; A(C)],
             [2, 0; A(C)], [2, 1; A(C)], [2, 2; A(C)],
             [3, 0; A(C)],
-            [4, 0; A(C)]
+            [4, 0; A(C)],
         );
         let accumulator = endpoint_head_chains(
             Atom {
@@ -302,15 +301,15 @@ mod tests {
             [1, 0; A(H)],
             [1, 1; A(C)],
             [1, 2; A(C)],
-            [2, 1; A(C)]
+            [2, 1; A(C)],
         );
         let atoms = next_carbons(Vec2::xy(1, 1), None, &graph).unwrap();
         let expected = vec![
             graph.get(Vec2::xy(1, 2)).unwrap(),
             graph.get(Vec2::xy(2, 1)).unwrap(),
         ]
         .iter()
-        .map(|&cell| unwrap_atom(cell))
+        .map(|&cell| cell.unwrap_atom())
         .collect::<Vec<Atom>>();
 
         assert_eq!(atoms, expected);
@@ -323,10 +322,10 @@ mod tests {
             [1, 0; A(H)],
             [1, 1; A(C)],
             [1, 2; A(C)],
-            [2, 1; A(C)]
+            [2, 1; A(C)],
         );
         let atom = next_carbons(Vec2::xy(1, 1), Some(Vec2::xy(1, 2)), &graph).unwrap();
-        let expected = vec![unwrap_atom(graph.get(Vec2::xy(2, 1)).unwrap())];
+        let expected = vec![graph.get(Vec2::xy(2, 1)).unwrap().unwrap_atom()];
 
         assert_eq!(atom, expected);
     }
@@ -340,7 +339,7 @@ mod tests {
             [3, 0; A(H)], [3, 1; A(C)], [3, 2; A(H)],
             [4, 1; B(Single)],
             [5, 0; A(H)], [5, 1; A(C)], [5, 2; A(H)],
-            [6, 1; A(H)]
+            [6, 1; A(H)],
         );
         let cells = endpoint_carbons(&graph).unwrap();
         let expected = vec![
@@ -356,7 +355,7 @@ mod tests {
         let graph = graph_with!(3, 3,
             [0, 1; A(H)],
             [1, 0; A(H)], [1, 1; A(C)], [1, 2; A(H)],
-            [2, 1; A(H)]
+            [2, 1; A(H)],
         );
         let cell = endpoint_carbons(&graph).unwrap();
         let expected = vec![graph.get(Vec2::xy(1, 1)).unwrap()];
@@ -370,7 +369,7 @@ mod tests {
             [0, 0; A(C)],
             [1, 0; A(C)],
             [2, 0; A(C)],
-            [0, 2; A(C)]
+            [0, 2; A(C)],
         );
         let network = get_connected_cells(Vec2::xy(0, 0), &graph).unwrap();
         let expected = vec![

diff --git a/src/groups.rs b/src/groups.rs
@@ -7,7 +7,7 @@ use crate::chain::{endpoint_head_chains, longest_chain};
 use crate::compound;
 use crate::groups::InvalidGraphError::{Other, UnrecognizedGroup};
 use crate::molecule::Group::{
-    AcidHalide, Aldehyde, Alkene, Alkyne, Amine, Bromo, Carbonyl, Carboxyl, Chloro, Fluoro,
+    AcidHalide, Aldehyde, Alkene, Alkyne, Amide, Amine, Bromo, Carbonyl, Carboxyl, Chloro, Fluoro,
     Hydrogen, Hydroxyl, Iodo, Nitrile,
 };
 use crate::molecule::Halogen::{Bromine, Chlorine, Fluorine, Iodine};
@@ -131,7 +131,8 @@ fn group_patterns(mut groups: Vec<Group>) -> Vec<Substituent> {
             [Carbonyl, Chloro => AcidHalide(Chlorine)],
             [Carbonyl, Bromo => AcidHalide(Bromine)],
             [Carbonyl, Iodo => AcidHalide(Iodine)],
-            [Carbonyl, Hydrogen => Aldehyde]
+            [Carbonyl, Amine => Amide],
+            [Carbonyl, Hydrogen => Aldehyde],
         );
         groups.retain(|it| it != &Hydrogen);
         break;
@@ -150,7 +151,7 @@ fn group_patterns(mut groups: Vec<Group>) -> Vec<Substituent> {
 /// groups to `out`.
 #[macro_export]
 macro_rules! compound {
-    ($groups:expr, $out:expr, $([$first:expr, $second:expr => $comp:expr]),*) => {
+    ($groups:expr, $out:expr, $([$first:expr, $second:expr => $comp:expr],)*) => {
         $(
         if $groups.contains(&$first) && $groups.contains(&$second) {
             $groups.retain(|it| it != &$first && it != &$second);
@@ -323,7 +324,7 @@ mod tests {
             [2, 1; B(Single)],
             [3, 0; A(H)], [3, 1; A(C)], [3, 2; A(H)],
             [4, 1; A(O)],
-            [5, 1; A(H)]
+            [5, 1; A(H)],
         );
         let chain = vec![
             Atom {
@@ -399,7 +400,7 @@ mod tests {
             [0, 1; B(Single)],
             [0, 2; A(O)],
             [0, 3; B(Single)],
-            [0, 4; A(H)]
+            [0, 4; A(H)],
         );
         let a = group_node_tree(&graph, Vec2::xy(0, 0), Direction::Up).unwrap();
         let b = GroupNode {
@@ -420,7 +421,7 @@ mod tests {
         let graph = graph_with!(1, 3,
             [0, 0; A(C)],
             [0, 1; A(O)],
-            [0, 2; A(H)]
+            [0, 2; A(H)],
         );
         let node = group_node_tree(&graph, Vec2::xy(0, 0), Direction::Up).unwrap();
         let expected = GroupNode {
@@ -441,7 +442,7 @@ mod tests {
         let graph = graph_with!(3, 3,
             [0, 0; A(H)], [0, 1; A(C)], [0, 2; A(H)],
             [1, 1; B(Double)],
-            [2, 0; A(H)], [2, 1; A(C)], [2, 2; A(H)]
+            [2, 0; A(H)], [2, 1; A(C)], [2, 2; A(H)],
         );
         let node = group_node_tree(&graph, Vec2::xy(0, 1), Direction::Right).unwrap();
         let expected = GroupNode {
@@ -458,7 +459,7 @@ mod tests {
         let graph = graph_with!(3, 3,
             [0, 1; A(C)],
             [1, 0; A(H)], [1, 1; A(C)],
-            [2, 1; A(C)]
+            [2, 1; A(C)],
         );
         let directions = next_directions(&graph, Vec2::xy(1, 1), Vec2::xy(0, 1)).unwrap();
         let expected = vec![Direction::Down, Direction::Right];
@@ -472,7 +473,7 @@ mod tests {
             [0, 1; A(C)],
             [1, 0; A(H)],
             [1, 1; A(C)],
-            [2, 1; A(C)]
+            [2, 1; A(C)],
         );
         let directions = next_directions(&graph, Vec2::xy(1, 1), Vec2::xy(0, 1)).unwrap();
         let expected = vec![Direction::Down, Direction::Right];
@@ -485,7 +486,7 @@ mod tests {
         let graph = graph_with!(5, 5,
             [0, 2; A(C)],
             [1, 2; B(Single)],
-            [2, 0; A(C)], [2, 1; B(Double)], [2, 2; A(C)], [2, 3; A(O)], [2, 4; A(H)]
+            [2, 0; A(C)], [2, 1; B(Double)], [2, 2; A(C)], [2, 3; A(O)], [2, 4; A(H)],
         );
         let branch = Branch {
             chain: vec![
@@ -514,7 +515,7 @@ mod tests {
             [1, 0; A(Br)],
             [1, 1; A(C)],
             [1, 2; A(I)],
-            [2, 1; A(F)]
+            [2, 1; A(F)],
         );
         let branch = Branch {
             chain: vec![Atom {

diff --git a/src/input.rs b/src/input.rs
@@ -5,62 +5,55 @@
 use crate::groups::debug_branches;
 use crate::macros::invoke_macro;
 use crate::molecule::BondOrder::{Double, Single, Triple};
-use crate::molecule::Element;
-use crate::molecule::Element::{C, H, N, O};
+use crate::molecule::Element::{Cl, C, H, I, N, O};
+use crate::molecule::{ComponentType, Element};
 use crate::naming::name_molecule;
 use crate::spatial::GridState;
 use crate::{AppState, Mode};
 use ruscii::app::State;
 use ruscii::keyboard::{Key, KeyEvent};
 use ruscii::spatial::Direction;
+use Element::{Br, F};
 
 pub(crate) fn input_insert_mode(app_state: &State, state: &mut AppState, graph: &mut GridState) {
     for key_event in app_state.keyboard().last_key_events() {
         match key_event {
             KeyEvent::Pressed(Key::B) => {
-                graph.put_atom(Element::Br);
                 state.key = "B";
-                update(state, graph);
+                update(state, graph, ComponentType::Element(Br));
             }
             KeyEvent::Pressed(Key::C) => {
-                graph.put_atom(C);
                 state.key = "C";
-                update(state, graph);
+                update(state, graph, ComponentType::Element(C));
             }
             KeyEvent::Pressed(Key::F) => {
-                graph.put_atom(Element::F);
                 state.key = "F";
-                update(state, graph);
+                update(state, graph, ComponentType::Element(F));
             }
             KeyEvent::Pressed(Key::H) => {
-                graph.put_atom(H);
                 state.key = "H";
-                update(state, graph);
+                update(state, graph, ComponentType::Element(H));
             }
             KeyEvent::Pressed(Key::I) => {
-                graph.put_atom(Element::I);
                 state.key = "I";
-                update(state, graph);
+                update(state, graph, ComponentType::Element(I));
             }
             KeyEvent::Pressed(Key::L) => {
-                graph.put_atom(Element::Cl);
                 state.key = "L";
-                update(state, graph);
+                update(state, graph, ComponentType::Element(Cl));
             }
             KeyEvent::Pressed(Key::N) => {
-                graph.put_atom(N);
                 state.key = "N";
-                update(state, graph);
+                update(state, graph, ComponentType::Element(N));
             }
             KeyEvent::Pressed(Key::O) => {
-                graph.put_atom(O);
                 state.key = "O";
-                update(state, graph);
+                update(state, graph, ComponentType::Element(O));
             }
             KeyEvent::Pressed(Key::F5) => {
                 graph.clear_all();
                 state.key = "F5";
-                update(state, graph);
+                update(state, graph, ComponentType::None);
             }
             KeyEvent::Pressed(Key::F7) => {
                 state.macros_enabled = !state.macros_enabled;
@@ -74,24 +67,20 @@ pub(crate) fn input_insert_mode(app_state: &State, state: &mut AppState, graph:
                 state.key = "F12";
             }
             KeyEvent::Pressed(Key::Num1) => {
-                graph.put_bond(Single);
                 state.key = "1";
-                update(state, graph);
+                update(state, graph, ComponentType::Order(Single));
             }
             KeyEvent::Pressed(Key::Num2) => {
-                graph.put_bond(Double);
                 state.key = "2";
-                update(state, graph);
+                update(state, graph, ComponentType::Order(Double));
             }
             KeyEvent::Pressed(Key::Num3) => {
-                graph.put_bond(Triple);
                 state.key = "3";
-                update(state, graph);
+                update(state, graph, ComponentType::Order(Triple));
             }
             KeyEvent::Pressed(Key::Backspace) => {
-                graph.clear_cell();
                 state.key = "Backspace";
-                update(state, graph);
+                update(state, graph, ComponentType::None);
             }
             KeyEvent::Pressed(Key::Right) => {
                 graph.move_cursor(Direction::Right);
@@ -134,9 +123,20 @@ pub(crate) fn input_view_mode(app_state: &State, state: &mut AppState) {
 }
 
 //noinspection RsBorrowChecker
-pub(crate) fn update(state: &mut AppState, graph: &mut GridState) {
+pub(crate) fn update(state: &mut AppState, graph: &mut GridState, comp: ComponentType) {
+    let previous = graph
+        .current_cell()
+        .expect("cell should be within bounds")
+        .comp();
+
+    match comp {
+        ComponentType::Element(it) => graph.put_atom(it),
+        ComponentType::Order(it) => graph.put_bond(it),
+        ComponentType::None => graph.clear_cell(),
+    }
+
     if state.macros_enabled {
-        invoke_macro(graph);
+        invoke_macro(graph, comp, previous);
     }
 
     (state.name, state.err) = match name_molecule(graph) {