PROC-NAME: CRYSC01 Type_1

PURPOSE: To check that _exptl_crystal_colour is consistent with expected colour code combinations.

PROCEDURE:

TEST

IF _exptl_crystal_colour ! = (qualifier)(intensity)(base-colour)

issue ALERT C

where allowed values are:

(qualifier)

blank, metallic, lusterous, translucent, fluorescent, clear

(intensity)

blank, dark, light, intense, pale

(base-colour)

white, black, blue, violet, red, pink, yellow, gold, silver, bronze, grey, orange, green, colourless, brown, purple

IF A word has been used that has not been identified as a standard identifier issue ALERT C

? ? ? ?? "Alert C The word below has not been recognised as a standard identifier."

IF No recognised colour has been given for crystal colour issue ALERT C

? ? ? ?? "Alert C No recognised colour has been given for crystal colour."

IF The identifiers are ordered incorrectly issue ALERT C

? ? ? ?? "Alert C There is an ordering error in _exptl_crystal_colour. It should be (QUALIFIER) (INTENSITY) (BASE_COLOUR)."

? ? ? _exptl_crystal_colour must be given as a set of specific keywords in the following specific order:

? ? ? (QUALIFIER) (INTENSITY) (BASE_COLOUR)

? ? ? where (QUALIFIER) and/or (INTENSITY) are optional. These keywords must be chosen from the following list:

? ? ? (qualifier) blank, metallic, lustrous, translucent, fluorescent, clear

? ? ? (intensity) blank, dark, light, intense, pale

? ? ? (base-colour) white, black, blue, violet, red, pink, yellow, gold, silver, bronze, grey, orange, green, colourless, brown, purple

(http://journals.iucr.org/services/cif/checking/CRYSC_01.html)

目的：檢查_exptl_crystal_colour是否與預(yù)期的顏色代碼組合一致。

過程：

檢查

若 _exptl_crystal_colour不等于(qualifier)(intensity)(base-colour)

發(fā)布C級(jí)警告

其中允許的關(guān)鍵詞為：

(qualifier)

blank, metallic, lusterous, translucent, fluorescent, clear

(intensity)

blank, dark, light, intense, pale

(base-colour)

white, black, blue, violet, red, pink, yellow, gold, silver, bronze, grey, orange, green, colourless, brown, purple

若使用了一個(gè)未被識(shí)別為標(biāo)準(zhǔn)標(biāo)識(shí)符的單詞，則發(fā)布C類警告

? ? ? ?? "Alert C The word below has not been recognised as a standard identifier."

若未給出可識(shí)別的晶體顏色單詞，則發(fā)布C類警告

? ? ??? ?"Alert C No recognised colour has been given for crystal colour."

若若標(biāo)識(shí)符順序錯(cuò)誤，則發(fā)布C類警告

? ? ? ?? "Alert C There is an ordering error in _exptl_crystal_colour. It should be (QUALIFIER) (INTENSITY) (BASE_COLOUR)."

?? ? ? ?_exptl_crystal_colour必須按以下特定順序作為一組特定關(guān)鍵詞給出：

? ??? ? (QUALIFIER) (INTENSITY) (BASE_COLOUR)

? ? ? ? 其中(QUALIFIER)和/或(INTENSITY)是可選的。這些關(guān)鍵詞必須從以下列表中選擇：

? ? ? ? (qualifier) blank, metallic, lustrous, translucent, fluorescent, clear

? ? ? ? (intensity) blank, dark, light, intense, pale

? ? ? ? (base-colour) white, black, blue, violet, red, pink, yellow, gold, silver, bronze, grey, orange, green, colourless, brown, purple

警告原因：晶體顏色(_exptl_crystal_colour)描述無法被CheckCIF識(shí)別。

解決策略：檢查單詞拼寫是否有錯(cuò)誤，是否為CheckCIF可識(shí)別的單詞。