orthonym.rules.bridged_fused_pin.poly_fusion#

Note

Internal API. Names and behaviour may change between releases.

Polycomponent fusion names whose attached components are all first-order (LO4c), for the ortho-fused parents no table holds, numbered by OPSIN’s reading of the name.

hetero_fusion builds a name of two components: the parent and ONE attached component (a benzo unit merged beforehand). A skeleton of three or more components fused to one parent component, each attached directly to it, has a name the Blue Book gives but that module declined: “Constructing polycomponent fusion names” (the Blue Book): “When several nonidentical components must be considered, one, and only one, can be the parent component. All other components are attached components. A component attached directly to the parent component is called a ‘first-order attached component’”. This module builds the names of that class, and only that class; a component that is not fused to the parent (a second-order one) declines.

  1. Parent component. (:12956) “When there are two or more locations for a parent component in a fused ring structure, the following criteria are applied sequentially”: (b) (:12970) “the location that results in a name that does not require attached components higher than first-order” (only such readings are built), (c) (:12976) “the location that results in the maximum number of first-order attached components”, (d) (:12984) “a location that permits the expression of the maximum number of identical attached components with multiplicative prefixes”. The parent is the senior component of the whole skeleton by

    (hetero_fusion._senior).

  2. Attached components. Identical ones fused to the parent are multiplied: (:12909) “A multiplicity of components that are identical and are all fused to a parent component or an attached component is indicated by the use of the prefix ‘di’, ‘tri’, etc…. The multiplying prefix is not considered in determining the alphabetical order of attached components… A colon separates the sets of locants, and a comma is used when letters only are present” (‘dibenzo[c,g]phenanthrene’, ‘dipyrano[2,3-b:3’,4’,5’-de]quinoline’). A single benzene ring fused to a heteromonocycle of five or more members is one component with it, a benzo name

    :13437, hetero_fusion._merged), which a reading with one benzo prefix would

    disrupt: declined. Two or more benzo prefixes stay, (:13437) “this approach is not used if it disrupts… the use of multiplicative prefixes (see “. A ring of the parent’s own size and elements elsewhere in the skeleton may make a multiparent name ,:13530;:13451 “A multiparent name is preferred to a fused ring system, when there is a choice”): declined (_multiparent_risk, hetero_fusion._multi).

  3. Citation. (:13040) “All attached components are cited in front of the parent component… If there are two or more different components… attached to a lower order component, they are cited in alphabetical order” (‘furo[3,2-b]thieno[2,3-e]pyridine (PIN)’ :13044); (:13070) “If two or more groups of components only differ by virtue of heteroatom locants, these locants are used to determine the order; lower locant sets are cited earlier” (‘[1,2]oxazolo[5,4-c][1,3]oxazolo[3,2-a]pyridine (PIN)’:13074).

  4. Locants. The parent’s peripheral sides are lettered:11911) and the attached component’s attachment locants are “as low as is consistent with the numbering of the compound and their order conforms to the direction of lettering of the parent component”. When the numbering of the parent offers a choice, (:13076) “the lower letters or numbers are selected in accordance with the following criteria,… in order”: (a) (:13080) “parent component letters as a set” (‘furo[3,2-h]pyrrolo[3,4-a]carbazole (PIN)’, not ‘furo[2,3-b] pyrrolo[3,4-i]carbazole’; a,h is lower than b,i), (b) (:13088) “Parent component letters in order of citation” (‘furo[3,4-b]thieno[2,3-e]pyrazine (PIN)’, not ‘furo[3,4-e]thieno[2,3-b] pyrazine’), (c) (:13102) “Set of locants of the first-order attached components for fusion to the parent component”, (d) (:13403) “First-order attached component locants for fusion to the parent component in order of citation”.

Declined: a hydrocarbon (fusion_names), peri-fusion and interior atoms, second-order attached components, a tie the rules above leave open between names that differ, and any name OPSIN 2.9.0 cannot read back to the same skeleton (the caller, parents._parent_for_key).

orthonym.rules.bridged_fused_pin.poly_fusion.MAX_RINGS = 6#

the skeleton has three to this many rings (hetero_fusion.rule_name’s bound)

Type:

/

orthonym.rules.bridged_fused_pin.poly_fusion.rule_name(key_mol)#

The name this module’s rules give the skeleton key_mol (an element-aware all-single-bond graph, parents._key_of), before the tables are asked, or None outside the class.

orthonym.rules.bridged_fused_pin.poly_fusion.polycomponent_name(key_mol)#

rule_name for a skeleton no parent table names:11903 puts every retained, systematic or Blue Book name first), as hetero_fusion.hetero_component_name.