openchemlib-utils
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getAtomsInfo
Function getAtomsInfo
getAtomsInfo
(
molecule
?:
Molecule
,
)
:
{
extra
:
{
aromaticBonds
:
number
;
cnoHybridation
:
number
;
doubleBonds
:
number
;
singleBonds
:
number
;
tripleBonds
:
number
;
}
;
oclID
:
any
;
}
[]
Returns various information about atoms in the molecule
Parameters
Optional
molecule
:
Molecule
Returns
{
extra
:
{
aromaticBonds
:
number
;
cnoHybridation
:
number
;
doubleBonds
:
number
;
singleBonds
:
number
;
tripleBonds
:
number
;
}
;
oclID
:
any
;
}
[]
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openchemlib-utils
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Returns various information about atoms in the molecule