add inorganic database, support passing other types of strings

Project.toml

@@ -1,7 +1,7 @@
 name = "ChemicalIdentifiers"
 uuid = "fa4ea961-1416-484e-bda2-883ee1634ba5"
 authors = ["Andrés Riedemann <[email protected]> and contributors"]
-version = "0.1.9"
+version = "0.1.10"
 
 [deps]
 Arrow = "69666777-d1a9-59fb-9406-91d4454c9d45"
@@ -15,7 +15,7 @@ Unicode = "4ec0a83e-493e-50e2-b9ac-8f72acf5a8f5"
 Arrow = "^1.5, 2"
 Preferences = "^1.2"
 Scratch = "^1.1"
-julia = "^1.6"
+julia = "^1.6"D
 
 [extras]
 Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"

src/ChemicalIdentifiers.jl

@@ -109,11 +109,14 @@ If you don't want to store the query, you could use `search_chemical(query,nothi
     end  
     global download_cache = Scratch.@get_scratch!("databases")
 
-    url_short = "https://github.com/CalebBell/chemicals/raw/master/chemicals/Identifiers/chemical%20identifiers%20pubchem%20small.tsv"
-    url_long = "https://github.com/CalebBell/chemicals/raw/master/chemicals/Identifiers/chemical%20identifiers%20pubchem%20large.tsv"
+    url_short = "https://raw.githubusercontent.com/CalebBell/chemicals/refs/heads/master/chemicals/Identifiers/chemical%20identifiers%20pubchem%20small.tsv"
+    url_inorganic = "https://raw.githubusercontent.com/CalebBell/chemicals/refs/heads/master/chemicals/Identifiers/Inorganic%20db.tsv"
+    url_long = "https://raw.githubusercontent.com/CalebBell/chemicals/refs/heads/master/chemicals/Identifiers/chemical%20identifiers%20pubchem%20large.tsv"
     load_data!(:short,url= url_short)
+    load_data!(:inorganic,url = url_inorganic)
     load_data!(:long,url = url_long)
     load_db!(:short)
+    load_db!(:inorganic)
     load_db!(:long)
     return nothing
   end

src/search.jl

@@ -55,6 +55,8 @@ function detect_query(id::String)
     end
 end
 
+detect_query(id::AbstractString) = detect_query(String(id))
+
 function detect_query(id::Int)
     return PubChemIDQuery(id)
 end
@@ -67,9 +69,9 @@ end
 
 function db_iteration_order(DB)
     #generating keys iteration order: user, short database, long database
-    dbnames = [:short,:long]
+    dbnames = [:short,:inorganic,:long]
     for k in keys(DATA_DB)
-        if !(k in (:short,:long))
+        if !(k in (:short,:inorganic,:long))
             push!(dbnames,k)
         end
     end

test/runtests.jl

@@ -5,8 +5,10 @@ using Test
     res1 = search_chemical("water",nothing)
     res2 =  search_chemical("SMILES=O",nothing)
     res3 = search_chemical("water (H2O)", nothing)
+    res4 = search_chemical(lstrip("   water"),nothing)
     @test res1.formula == res2.formula
     @test res1.formula == res3.formula
+    @test res1.formula == res4.formula
     @test ismissing(search_chemical("[3-(2,3-EPOXYPROXY)PROPYL]TRIMETHOXYSILANE",nothing))
     @test ismissing(search_chemical(missing))
 end