From 530daf8bbe9a4c653586564b8eb561a77599d32b Mon Sep 17 00:00:00 2001 From: Ken Kroenlein Date: Sun, 3 Nov 2019 21:26:37 +0100 Subject: [PATCH] Modified NominalComposition to include basis, default `unknown` --- docs/specification/value-types.md | 19 ++++++++++--------- 1 file changed, 10 insertions(+), 9 deletions(-) diff --git a/docs/specification/value-types.md b/docs/specification/value-types.md index ff3fa5a..2622724 100644 --- a/docs/specification/value-types.md +++ b/docs/specification/value-types.md @@ -118,7 +118,7 @@ None ## Integer Values -Currently, there are two integer types: a uniform (i.e. range) distribution and a +Currently, there are two integer types: a uniform (i.e. range) distribution and a nominal (i.e. specified) value. ### Uniform Integer Value @@ -191,7 +191,7 @@ Distribution of categories stored as a map from the string label to the probabil Field name | Value type | Description ----------------|------------|------------ `type` | String | "discrete\_categorical" -`probabilities` | Map[String, Number] | A map from string category names to their probability. +`probabilities` | Map[String, Number] | A map from string category names to their probability. ##### Constraints @@ -246,10 +246,11 @@ For example "one part flour two parts sugar" is acceptable. A composition represented as a map from the component name to the quantity. The quantities do not express an uncertainty, but also do not imply that there is absolute certainty in their values. -Field name | Value type | Description -----------------|------------|------------ -`type` | String | "nominal\_composition" -`quantities` | Map[String, Number] | Map[String, Number] +Field name | Value type | Default | Description +----------------|------------|---------|----------- +`type` | String | Req. | "nominal\_composition" +`quantities` | Map[String, Number]| Empty set | | Map[String, Number] +`basis` | `mass`, `volume`, `number`, `unknown` | `unknown` | The type of measurement that informed the quantity ##### Constraints @@ -269,7 +270,7 @@ each quantity value | >= | 0 } ``` -### Empirical Formula +### Empirical Formula A composition represented as a chemical formula string. The order and grouping of the elements is ignored. @@ -291,9 +292,9 @@ Field name | Value type | Description --- -### Molecular Structure +### Molecular Structure -Molecular structure types are used to define attributes that contain information about +Molecular structure types are used to define attributes that contain information about the structure and composition of a molecule. Given a molecular structure, one can infer the chemical formula, existence of functional groups, and local chemical environment of each atom in the molecule.